 Entering Gaussian System, Link 0=g16
 Input=17_camphor_STD_wB97XD-augccpVDZr.in
 Output=17_camphor_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/17_camphor_STD/Gau-125427.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/17_camphor_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    125429.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 9-Jul-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=128GB
 %chk=17_camphor_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul  9 23:20:53 2021, MaxMem= 17179869184 cpu:               1.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "17_camphor_STD_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.909392000000     -0.256340000000      0.424222000000
  C                                                -0.288665000000     -0.500024000000     -0.551274000000
  C                                                -0.053948000000      0.598961000000     -1.631490000000
  C                                                 0.591340000000      1.776614000000     -0.850814000000
  C                                                 0.596393000000      1.259663000000      0.600580000000
  C                                                -1.441722000000      0.068745000000      0.275102000000
  C                                                -0.867880000000      1.247572000000      1.065930000000
  C                                                -0.529239000000     -1.889055000000     -1.090275000000
  O                                                -2.580268000000     -0.322725000000      0.294255000000
  C                                                 2.280642000000     -0.533766000000     -0.190909000000
  C                                                 0.806031000000     -1.067470000000      1.719398000000
  H                                                 0.609760000000      0.209736000000     -2.403647000000
  H                                                -0.986507000000      0.874939000000     -2.124235000000
  H                                                 0.019349000000      2.699916000000     -0.943059000000
  H                                                 1.598811000000      1.987373000000     -1.206735000000
  H                                                -0.984333000000      1.058438000000      2.133454000000
  H                                                -1.413116000000      2.164495000000      0.837905000000
  H                                                 1.274732000000      1.792071000000      1.266719000000
  H                                                -1.431450000000     -1.907859000000     -1.702944000000
  H                                                -0.672824000000     -2.608440000000     -0.282929000000
  H                                                 0.309210000000     -2.221656000000     -1.704806000000
  H                                                 2.441196000000     -0.030031000000     -1.141406000000
  H                                                 2.414644000000     -1.604084000000     -0.357383000000
  H                                                 3.068204000000     -0.208479000000      0.493063000000
  H                                                -0.176749000000     -1.018099000000      2.186698000000
  H                                                 1.540309000000     -0.715601000000      2.447452000000
  H                                                 1.016848000000     -2.120323000000      1.524992000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          16          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul  9 23:20:53 2021, MaxMem= 17179869184 cpu:               1.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.909392   -0.256340    0.424222
      2          6           0       -0.288665   -0.500024   -0.551274
      3          6           0       -0.053948    0.598961   -1.631490
      4          6           0        0.591340    1.776614   -0.850814
      5          6           0        0.596393    1.259663    0.600580
      6          6           0       -1.441722    0.068745    0.275102
      7          6           0       -0.867880    1.247572    1.065930
      8          6           0       -0.529239   -1.889055   -1.090275
      9          8           0       -2.580268   -0.322725    0.294255
     10          6           0        2.280642   -0.533766   -0.190909
     11          6           0        0.806031   -1.067470    1.719398
     12          1           0        0.609760    0.209736   -2.403647
     13          1           0       -0.986507    0.874939   -2.124235
     14          1           0        0.019349    2.699916   -0.943059
     15          1           0        1.598811    1.987373   -1.206735
     16          1           0       -0.984333    1.058438    2.133454
     17          1           0       -1.413116    2.164495    0.837905
     18          1           0        1.274732    1.792071    1.266719
     19          1           0       -1.431450   -1.907859   -1.702944
     20          1           0       -0.672824   -2.608440   -0.282929
     21          1           0        0.309210   -2.221656   -1.704806
     22          1           0        2.441196   -0.030031   -1.141406
     23          1           0        2.414644   -1.604084   -0.357383
     24          1           0        3.068204   -0.208479    0.493063
     25          1           0       -0.176749   -1.018099    2.186698
     26          1           0        1.540309   -0.715601    2.447452
     27          1           0        1.016848   -2.120323    1.524992
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.564070   0.000000
     3  C    2.426008   1.558758   0.000000
     4  C    2.420697   2.459108   1.553293   0.000000
     5  C    1.557991   2.281796   2.416942   1.540717   0.000000
     6  C    2.378162   1.528377   2.417052   2.884067   2.382884
     7  C    2.415002   2.450496   2.891238   2.466397   1.536487
     8  C    2.651248   1.509240   2.590181   3.840595   3.747061
     9  O    3.492710   2.449040   3.307611   3.972091   3.562157
    10  C    1.528292   2.594675   2.967938   2.937188   2.584480
    11  C    1.531697   2.583855   3.839923   3.839387   2.590608
    12  H    2.881640   2.177662   1.090060   2.206068   3.182437
    13  H    3.371774   2.202660   1.090242   2.219058   3.174618
    14  H    3.376549   3.238516   2.212085   1.090032   2.188637
    15  H    2.858245   3.190508   2.199936   1.089081   2.191071
    16  H    2.869897   3.181277   3.905322   3.450272   2.211083
    17  H    3.380180   3.208406   3.224306   2.649541   2.216567
    18  H    2.244830   3.317078   3.404191   2.225131   1.089653
    19  H    3.568178   2.148092   2.861252   4.288723   4.410393
    20  H    2.921617   2.159862   3.533984   4.598837   4.165780
    21  H    2.958960   2.156874   2.844844   4.098178   4.185315
    22  H    2.202006   2.832188   2.619457   2.601995   2.846247
    23  H    2.166357   2.926503   3.545519   3.872600   3.524880
    24  H    2.160440   3.527635   3.861802   3.446949   2.876952
    25  H    2.205969   2.788802   4.148316   4.198435   2.881270
    26  H    2.168510   3.519088   4.572472   4.241490   2.864189
    27  H    2.167412   2.939492   4.301684   4.583844   3.529253
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.531123   0.000000
     8  C    2.555359   3.821299   0.000000
     9  O    1.204119   2.448180   2.928657   0.000000
    10  C    3.799497   3.829621   3.246706   4.889618   0.000000
    11  C    2.903338   2.930600   3.217485   3.748693   2.471556
    12  H    3.377004   3.911328   2.725287   4.211706   2.870688
    13  H    2.571767   3.214044   2.986274   3.134257   4.049254
    14  H    3.246799   2.632967   4.623989   4.174364   4.016948
    15  H    3.888678   3.434658   4.423670   5.005420   2.802309
    16  H    2.154569   1.090385   4.391726   2.799513   4.312521
    17  H    2.170192   1.090883   4.574974   2.800725   4.688595
    18  H    3.366345   2.219816   4.728681   4.503229   2.923363
    19  H    2.796379   4.235684   1.090734   2.796647   4.237217
    20  H    2.840761   4.089779   1.090843   3.032487   3.610499
    21  H    3.497390   4.593263   1.091452   3.993904   3.004563
    22  H    4.134405   4.177869   3.504578   5.230860   1.087645
    23  H    4.250877   4.575230   3.047095   5.197659   1.091444
    24  H    4.523692   4.235684   4.274680   5.653124   1.092650
    25  H    2.536846   2.620505   3.409012   3.137163   3.453457
    26  H    3.771845   3.400298   4.263278   4.665808   2.746289
    27  H    3.521194   3.886599   3.046882   4.205391   2.656813
                   11         12         13         14         15
    11  C    0.000000
    12  H    4.320796   0.000000
    13  H    4.664725   1.751752   0.000000
    14  H    4.679823   2.946676   2.395300   0.000000
    15  H    4.303815   2.360257   2.960268   1.752696   0.000000
    16  H    2.810041   4.883310   4.261642   3.628603   4.323473
    17  H    4.018363   4.291942   3.258715   2.347438   3.644671
    18  H    2.932844   4.051859   4.177667   2.698757   2.502228
    19  H    4.174326   3.023530   2.849460   4.890177   4.959994
    20  H    2.927612   3.752943   3.952560   5.393841   5.209150
    21  H    3.647485   2.547622   3.382854   4.988602   4.430245
    22  H    3.454597   2.237163   3.678868   3.654763   2.187190
    23  H    2.681158   3.276392   4.564554   4.960330   3.779622
    24  H    2.712783   3.822274   4.946183   4.451598   3.141687
    25  H    1.089341   4.816372   4.777389   4.863894   4.868353
    26  H    1.092263   5.025468   5.460306   5.047241   4.545610
    27  H    1.091209   4.585750   5.128536   5.506449   4.967311
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.756606   0.000000
    18  H    2.528403   2.747200   0.000000
    19  H    4.869988   4.800033   5.461850   0.000000
    20  H    4.402492   4.958347   5.055579   1.755782   0.000000
    21  H    5.211958   5.354447   5.086472   1.768720   1.770798
    22  H    4.862481   4.856886   3.237246   4.340386   4.133073
    23  H    4.984610   5.502967   3.933316   4.085982   3.247573
    24  H    4.551815   5.082534   2.795941   5.287459   4.511903
    25  H    2.228684   3.671069   3.293966   4.182734   2.978982
    26  H    3.101552   4.428128   2.784435   5.242005   3.991964
    27  H    3.805190   4.973578   3.929381   4.056954   2.522266
                   21         22         23         24         25
    21  H    0.000000
    22  H    3.109020   0.000000
    23  H    2.574839   1.758704   0.000000
    24  H    4.061472   1.759679   1.760146   0.000000
    25  H    4.102257   4.348125   3.678457   3.748814   0.000000
    26  H    4.585308   3.763178   3.069359   2.532049   1.762891
    27  H    3.307962   3.675291   2.400765   2.987990   1.754259
                   26         27
    26  H    0.000000
    27  H    1.760167   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.73D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.909392   -0.256340    0.424222
      2          6           0       -0.288665   -0.500024   -0.551274
      3          6           0       -0.053948    0.598961   -1.631490
      4          6           0        0.591339    1.776614   -0.850814
      5          6           0        0.596393    1.259663    0.600580
      6          6           0       -1.441722    0.068745    0.275102
      7          6           0       -0.867880    1.247572    1.065930
      8          6           0       -0.529238   -1.889055   -1.090275
      9          8           0       -2.580268   -0.322726    0.294255
     10          6           0        2.280642   -0.533765   -0.190909
     11          6           0        0.806031   -1.067470    1.719398
     12          1           0        0.609760    0.209736   -2.403647
     13          1           0       -0.986507    0.874939   -2.124235
     14          1           0        0.019348    2.699916   -0.943059
     15          1           0        1.598810    1.987374   -1.206735
     16          1           0       -0.984333    1.058438    2.133454
     17          1           0       -1.413117    2.164495    0.837905
     18          1           0        1.274731    1.792071    1.266719
     19          1           0       -1.431449   -1.907859   -1.702944
     20          1           0       -0.672823   -2.608440   -0.282929
     21          1           0        0.309211   -2.221656   -1.704806
     22          1           0        2.441196   -0.030030   -1.141406
     23          1           0        2.414644   -1.604083   -0.357383
     24          1           0        3.068204   -0.208478    0.493063
     25          1           0       -0.176749   -1.018099    2.186698
     26          1           0        1.540309   -0.715601    2.447452
     27          1           0        1.016849   -2.120323    1.524992
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.4525294           1.1850540           1.0991328
 Leave Link  202 at Fri Jul  9 23:20:53 2021, MaxMem= 17179869184 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     10     11
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       9
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       688.1944666599 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0245036637 Hartrees.
 Nuclear repulsion after empirical dispersion term =      688.1699629962 Hartrees.
 Leave Link  301 at Fri Jul  9 23:20:55 2021, MaxMem= 17179869184 cpu:              16.0 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  3.36D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Fri Jul  9 23:20:55 2021, MaxMem= 17179869184 cpu:               5.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul  9 23:20:56 2021, MaxMem= 17179869184 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "17_camphor_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul  9 23:20:56 2021, MaxMem= 17179869184 cpu:               5.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 17179869184 LenX= 17179508935 LenY= 17179332933
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.846333199855    
 DIIS: error= 1.50D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.846333199855     IErMin= 1 ErrMin= 1.50D-03
 ErrMax= 1.50D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.96D-03 BMatP= 5.96D-03
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.50D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.374 Goal=   None    Shift=    0.000
 GapD=    0.374 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.96D-02 MaxDP=2.24D+00              OVMax= 1.33D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.81D-02    CP:  1.26D+00
 E= -465.851016513152     Delta-E=       -0.004683313296 Rises=F Damp=F
 DIIS: error= 2.64D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.851016513152     IErMin= 2 ErrMin= 2.64D-04
 ErrMax= 2.64D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.77D-05 BMatP= 5.96D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.64D-03
 Coeff-Com: -0.407D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.406D-01 0.104D+01
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=2.94D-03 MaxDP=4.04D-01 DE=-4.68D-03 OVMax= 4.97D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.11D-03    CP:  1.29D+00  1.14D+00
 E= -465.851081411033     Delta-E=       -0.000064897881 Rises=F Damp=F
 DIIS: error= 3.76D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.851081411033     IErMin= 2 ErrMin= 2.64D-04
 ErrMax= 3.76D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-04 BMatP= 9.77D-05
 IDIUse=3 WtCom= 3.40D-01 WtEn= 6.60D-01
 Coeff-Com: -0.360D-01 0.558D+00 0.478D+00
 Coeff-En:   0.000D+00 0.195D+00 0.805D+00
 Coeff:     -0.122D-01 0.318D+00 0.694D+00
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=2.18D-04 MaxDP=2.07D-02 DE=-6.49D-05 OVMax= 3.06D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.34D-04    CP:  1.30D+00  1.15D+00  1.08D+00
 E= -465.851119273141     Delta-E=       -0.000037862108 Rises=F Damp=F
 DIIS: error= 3.12D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.851119273141     IErMin= 2 ErrMin= 2.64D-04
 ErrMax= 3.12D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.13D-05 BMatP= 9.77D-05
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.12D-03
 Coeff-Com: -0.404D-02-0.174D-01 0.433D+00 0.588D+00
 Coeff-En:   0.000D+00 0.000D+00 0.369D+00 0.631D+00
 Coeff:     -0.403D-02-0.173D-01 0.433D+00 0.588D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=1.48D-04 MaxDP=1.50D-02 DE=-3.79D-05 OVMax= 1.39D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.20D-05    CP:  1.30D+00  1.15D+00  1.17D+00  1.01D+00
 E= -465.851164489398     Delta-E=       -0.000045216257 Rises=F Damp=F
 DIIS: error= 1.49D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.851164489398     IErMin= 5 ErrMin= 1.49D-05
 ErrMax= 1.49D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.92D-07 BMatP= 6.13D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.120D-02-0.459D-01 0.982D-01 0.178D+00 0.769D+00
 Coeff:      0.120D-02-0.459D-01 0.982D-01 0.178D+00 0.769D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=4.18D-05 MaxDP=3.34D-03 DE=-4.52D-05 OVMax= 2.21D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.48D-05    CP:  1.30D+00  1.15D+00  1.20D+00  1.11D+00  1.30D+00
 E= -465.851164813638     Delta-E=       -0.000000324239 Rises=F Damp=F
 DIIS: error= 5.23D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.851164813638     IErMin= 6 ErrMin= 5.23D-06
 ErrMax= 5.23D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.23D-08 BMatP= 2.92D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.771D-03-0.123D-01-0.588D-02 0.447D-02 0.268D+00 0.745D+00
 Coeff:      0.771D-03-0.123D-01-0.588D-02 0.447D-02 0.268D+00 0.745D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=1.23D-05 MaxDP=1.69D-03 DE=-3.24D-07 OVMax= 5.78D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.43D-06    CP:  1.30D+00  1.15D+00  1.20D+00  1.15D+00  1.41D+00
                    CP:  1.11D+00
 E= -465.851164854335     Delta-E=       -0.000000040697 Rises=F Damp=F
 DIIS: error= 1.12D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.851164854335     IErMin= 7 ErrMin= 1.12D-06
 ErrMax= 1.12D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.74D-09 BMatP= 3.23D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.643D-04 0.407D-03-0.662D-02-0.108D-01 0.146D-02 0.152D+00
 Coeff-Com:  0.864D+00
 Coeff:      0.643D-04 0.407D-03-0.662D-02-0.108D-01 0.146D-02 0.152D+00
 Coeff:      0.864D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=4.30D-06 MaxDP=6.23D-04 DE=-4.07D-08 OVMax= 2.54D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.17D-06    CP:  1.30D+00  1.15D+00  1.20D+00  1.16D+00  1.45D+00
                    CP:  1.19D+00  1.25D+00
 E= -465.851164857038     Delta-E=       -0.000000002703 Rises=F Damp=F
 DIIS: error= 4.90D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.851164857038     IErMin= 8 ErrMin= 4.90D-07
 ErrMax= 4.90D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.35D-10 BMatP= 1.74D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.669D-04 0.167D-02-0.187D-02-0.514D-02-0.356D-01-0.397D-01
 Coeff-Com:  0.323D+00 0.757D+00
 Coeff:     -0.669D-04 0.167D-02-0.187D-02-0.514D-02-0.356D-01-0.397D-01
 Coeff:      0.323D+00 0.757D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=1.35D-06 MaxDP=1.81D-04 DE=-2.70D-09 OVMax= 9.61D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.41D-07    CP:  1.30D+00  1.15D+00  1.20D+00  1.16D+00  1.46D+00
                    CP:  1.22D+00  1.38D+00  1.24D+00
 E= -465.851164857522     Delta-E=       -0.000000000485 Rises=F Damp=F
 DIIS: error= 1.12D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.851164857522     IErMin= 9 ErrMin= 1.12D-07
 ErrMax= 1.12D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-11 BMatP= 3.35D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.184D-04 0.301D-03 0.133D-03-0.271D-03-0.676D-02-0.180D-01
 Coeff-Com:  0.492D-02 0.136D+00 0.884D+00
 Coeff:     -0.184D-04 0.301D-03 0.133D-03-0.271D-03-0.676D-02-0.180D-01
 Coeff:      0.492D-02 0.136D+00 0.884D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=1.95D-07 MaxDP=1.45D-05 DE=-4.85D-10 OVMax= 2.75D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  8.28D-08    CP:  1.30D+00  1.15D+00  1.20D+00  1.16D+00  1.46D+00
                    CP:  1.22D+00  1.40D+00  1.32D+00  1.13D+00
 E= -465.851164857517     Delta-E=        0.000000000005 Rises=F Damp=F
 DIIS: error= 3.75D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -465.851164857522     IErMin=10 ErrMin= 3.75D-08
 ErrMax= 3.75D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.75D-12 BMatP= 1.10D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.195D-05-0.843D-04 0.245D-03 0.465D-03 0.190D-02-0.638D-03
 Coeff-Com: -0.325D-01-0.439D-01 0.229D+00 0.846D+00
 Coeff:      0.195D-05-0.843D-04 0.245D-03 0.465D-03 0.190D-02-0.638D-03
 Coeff:     -0.325D-01-0.439D-01 0.229D+00 0.846D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=8.66D-08 MaxDP=9.70D-06 DE= 5.23D-12 OVMax= 1.26D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.42D-08    CP:  1.30D+00  1.15D+00  1.20D+00  1.16D+00  1.46D+00
                    CP:  1.22D+00  1.40D+00  1.34D+00  1.17D+00  1.20D+00
 E= -465.851164857573     Delta-E=       -0.000000000056 Rises=F Damp=F
 DIIS: error= 1.33D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.851164857573     IErMin=11 ErrMin= 1.33D-08
 ErrMax= 1.33D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.34D-13 BMatP= 1.75D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.263D-05-0.605D-04 0.480D-04 0.148D-03 0.129D-02 0.196D-02
 Coeff-Com: -0.941D-02-0.263D-01-0.368D-01 0.247D+00 0.822D+00
 Coeff:      0.263D-05-0.605D-04 0.480D-04 0.148D-03 0.129D-02 0.196D-02
 Coeff:     -0.941D-02-0.263D-01-0.368D-01 0.247D+00 0.822D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=2.56D-08 MaxDP=2.94D-06 DE=-5.59D-11 OVMax= 6.20D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  9.42D-09    CP:  1.30D+00  1.15D+00  1.20D+00  1.16D+00  1.46D+00
                    CP:  1.22D+00  1.40D+00  1.34D+00  1.18D+00  1.29D+00
                    CP:  1.09D+00
 E= -465.851164857508     Delta-E=        0.000000000065 Rises=F Damp=F
 DIIS: error= 5.82D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -465.851164857573     IErMin=12 ErrMin= 5.82D-09
 ErrMax= 5.82D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.46D-14 BMatP= 2.34D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.458D-06 0.161D-04-0.342D-04-0.704D-04-0.354D-03-0.700D-04
 Coeff-Com:  0.484D-02 0.838D-02-0.293D-01-0.134D+00-0.828D-01 0.123D+01
 Coeff:     -0.458D-06 0.161D-04-0.342D-04-0.704D-04-0.354D-03-0.700D-04
 Coeff:      0.484D-02 0.838D-02-0.293D-01-0.134D+00-0.828D-01 0.123D+01
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=9.00D-09 MaxDP=5.77D-07 DE= 6.48D-11 OVMax= 4.86D-07

 SCF Done:  E(RwB97XD) =  -465.851164858     A.U. after   12 cycles
            NFock= 12  Conv=0.90D-08     -V/T= 2.0063
 KE= 4.629156378482D+02 PE=-2.457836937397D+03 EE= 8.409001716953D+02
 Leave Link  502 at Fri Jul  9 23:24:42 2021, MaxMem= 17179869184 cpu:            2701.0 elap:             225.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.12554676D+03

 Leave Link  801 at Fri Jul  9 23:24:42 2021, MaxMem= 17179869184 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   17179869184 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 1.27D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 1.56D-01 4.93D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 3.74D-02 2.35D-02.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 4.22D-03 9.00D-03.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 5.99D-04 4.07D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 5.06D-05 1.35D-03.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 1.61D-06 1.86D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 4.88D-08 2.75D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 1.15D-09 5.49D-06.
     11 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 2.94D-11 8.39D-07.
      7 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 6.84D-13 7.96D-08.
      1 vectors produced by pass 11 Test12= 2.49D-13 8.33D-09 XBig12= 2.66D-14 1.47D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   118 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.120153D+03
      2  0.103281D+01  0.115595D+03
      3 -0.238467D+00  0.144898D+01  0.111809D+03
 Isotropic polarizability for W=    0.085645      115.85 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.257740D+02 -0.137012D+02  0.112578D+02
      2  -0.162758D+02  0.686405D+01 -0.810421D+01
      3  -0.949817D+01  0.683713D+01 -0.315358D+01
      4  -0.174975D+02  0.339713D+02 -0.169815D+02
      5   0.835707D+01 -0.172691D+02  0.435516D+02
      6  -0.105483D+02 -0.142457D+02 -0.443907D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.200693D+00 -0.459895D+01  0.165022D+01
      2   0.173102D+01 -0.427529D+01  0.213992D+02
      3   0.515998D+01 -0.173498D+02  0.502270D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.287542D+00 -0.614149D+01  0.112762D+02
      2   0.290072D+01 -0.643320D+01  0.530498D+02
      3  -0.379636D+01 -0.502472D+02  0.672074D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.301822D+00  0.311887D+00 -0.767569D+00
      2   0.311887D+00  0.802704D+00 -0.662020D+00
      3  -0.767569D+00 -0.662020D+00 -0.557804D+00
 OR G Eigenvalues:    -1.1074     0.2348     1.4193  Iso=    -0.1822
 Eigenvectors:
   (1)   0.424647   0.233802   0.874649
   (2)   0.747513  -0.635583  -0.193024
   (3)   0.510783   0.735779  -0.444669
 w=    0.085645 a.u., Optical Rotation Beta=     -0.1822 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      -56.77 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 2.06D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 6.71D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 2.87D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 1.51D-02 2.23D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 1.23D-03 7.23D-03.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 2.94D-05 1.23D-03.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 5.73D-07 1.18D-04.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 8.66D-09 1.16D-05.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 8.40D-11 9.43D-07.
     30 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 7.15D-13 6.40D-08.
     11 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 8.38D-15 7.59D-09.
      1 vectors produced by pass  9 Test12= 4.14D-14 2.78D-09 XBig12= 1.72D-15 4.19D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.55D-15
 Solved reduced A of dimension   252 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 3.93D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 3.93D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.90D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.120153D+03  0.103281D+01 -0.238467D+00
      2   0.103281D+01  0.115595D+03  0.144898D+01
      3  -0.238467D+00  0.144898D+01  0.111809D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.200693D+00 -0.459895D+01  0.165022D+01
      2   0.173102D+01 -0.427529D+01  0.213992D+02
      3   0.515998D+01 -0.173498D+02  0.502270D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.257740D+02 -0.137012D+02  0.112578D+02
      2  -0.162758D+02  0.686405D+01 -0.810421D+01
      3  -0.949817D+01  0.683713D+01 -0.315358D+01
      4  -0.174975D+02  0.339713D+02 -0.169815D+02
      5   0.835707D+01 -0.172691D+02  0.435516D+02
      6  -0.105483D+02 -0.142457D+02 -0.443907D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.127450D+01  0.156493D+01  0.570494D+01  0.101072D+01  0.254721D+01
      2   0.156493D+01  0.279256D+01  0.342732D+00  0.254721D+01 -0.591189D+01
      3   0.570494D+01  0.342732D+00  0.275506D+01  0.609670D-02 -0.162068D+01
                 6             7             8             9            10 
      1   0.609670D-02  0.671502D+01  0.579089D+00  0.207847D+01 -0.423521D+01
      2  -0.162068D+01  0.579089D+00 -0.160168D+01  0.408225D+01 -0.208889D+01
      3   0.324684D+01  0.207847D+01  0.408225D+01 -0.119952D+01 -0.424304D+01
                11            12            13            14            15 
      1  -0.208889D+01 -0.424304D+01 -0.237009D+01  0.757813D+00  0.200864D+01
      2   0.103937D+01  0.222632D+01  0.757813D+00  0.860935D+00  0.311008D+01
      3   0.222632D+01 -0.726300D+00  0.200864D+01  0.311008D+01 -0.370415D+01
                16            17            18            19            20 
      1  -0.418503D+01  0.210041D+01 -0.200074D+01  0.224893D+01 -0.393068D+00
      2   0.210041D+01  0.246101D+01 -0.283800D+01 -0.393068D+00 -0.131465D+01
      3  -0.200074D+01 -0.283800D+01 -0.162435D+01  0.405214D+01 -0.269053D+01
                21            22            23            24            25 
      1   0.405214D+01  0.478449D+00 -0.340356D+00 -0.361719D+01  0.254726D+01
      2  -0.269053D+01 -0.340356D+00  0.499574D+00 -0.247945D+01 -0.243507D+01
      3  -0.604036D+00 -0.361719D+01 -0.247945D+01  0.229341D+01 -0.193400D+00
                26            27            28            29            30 
      1  -0.243507D+01 -0.193400D+00 -0.368005D+01 -0.240406D+01  0.235501D+01
      2  -0.338968D+01  0.159784D+01 -0.240406D+01  0.397427D+01  0.916661D+00
      3   0.159784D+01  0.201533D+01  0.235501D+01  0.916661D+00 -0.205513D+00
                31            32            33            34            35 
      1  -0.912029D+00  0.315250D+01  0.950438D+00  0.192660D+01  0.105736D+01
      2   0.315250D+01 -0.332062D+01  0.193737D+01  0.105736D+01  0.153220D+01
      3   0.950438D+00  0.193737D+01  0.199975D+01 -0.102852D-01  0.174187D+01
                36            37            38            39            40 
      1  -0.102852D-01  0.117888D+01 -0.115603D+01 -0.402021D+01  0.207047D+00
      2   0.174187D+01 -0.115603D+01 -0.317564D+01 -0.154863D+01 -0.416613D+01
      3  -0.289244D+01 -0.402021D+01 -0.154863D+01 -0.164839D+01 -0.175105D+01
                41            42            43            44            45 
      1  -0.416613D+01 -0.175105D+01 -0.321849D+01 -0.158384D+01 -0.181860D+01
      2   0.502825D+01 -0.139098D+01 -0.158384D+01 -0.138529D+00 -0.356204D+01
      3  -0.139098D+01 -0.255327D+01 -0.181860D+01 -0.356204D+01  0.210359D+01
                46            47            48            49            50 
      1   0.766304D+01  0.324319D+01  0.278499D+00  0.286589D+01 -0.101847D+01
      2   0.324319D+01 -0.381942D+01 -0.315315D+01 -0.101847D+01 -0.900911D+00
      3   0.278499D+00 -0.315315D+01 -0.229194D+01 -0.171222D+01 -0.107856D+01
                51            52            53            54            55 
      1  -0.171222D+01  0.350177D+00 -0.135248D+01  0.986476D-01 -0.161754D+01
      2  -0.107856D+01 -0.135248D+01 -0.644106D+00  0.428408D+00 -0.106219D+01
      3   0.322746D-01  0.986476D-01  0.428408D+00  0.170645D+01  0.137116D+01
                56            57            58            59            60 
      1  -0.106219D+01  0.137116D+01 -0.159294D+01  0.366044D+01  0.948178D+00
      2   0.470475D+01  0.136293D+01  0.366044D+01 -0.284740D+01  0.157043D+01
      3   0.136293D+01  0.136652D+01  0.948178D+00  0.157043D+01  0.208684D+01
                61            62            63            64            65 
      1   0.494759D+00 -0.421894D+00  0.111177D+01  0.150809D+01  0.199926D+01
      2  -0.421894D+00  0.202348D+01  0.838851D+00  0.199926D+01 -0.412553D+00
      3   0.111177D+01  0.838851D+00 -0.525771D+01  0.473197D+01 -0.130386D+01
                66            67            68            69            70 
      1   0.473197D+01  0.128126D+01 -0.813052D+00 -0.134279D+01  0.388145D+01
      2  -0.130386D+01 -0.813052D+00 -0.804343D+00 -0.310213D+01 -0.148043D+01
      3   0.887984D+00 -0.134279D+01 -0.310213D+01  0.229183D+01  0.853527D+00
                71            72            73            74            75 
      1  -0.148043D+01  0.853527D+00 -0.161260D+02 -0.311994D+01  0.100822D+01
      2  -0.317684D+01  0.295157D+01 -0.311994D+01 -0.858056D+00  0.101241D+01
      3   0.295157D+01  0.668220D+00  0.100822D+01  0.101241D+01 -0.704121D+00
                76            77            78            79            80 
      1  -0.328159D+01 -0.345455D+01  0.505480D+00  0.378207D+00  0.213762D+00
      2  -0.345455D+01 -0.196923D+01  0.678485D+00  0.213762D+00  0.150793D+00
      3   0.505480D+00  0.678485D+00 -0.298462D+00 -0.298642D+01 -0.839322D+00
                81            82            83            84            85 
      1  -0.298642D+01 -0.344343D+00 -0.189510D+01 -0.437752D+01 -0.237239D+01
      2  -0.839322D+00 -0.189510D+01 -0.124479D+01 -0.275138D+00 -0.212713D+01
      3  -0.503826D-02 -0.437752D+01 -0.275138D+00 -0.172905D+01 -0.420500D+00
                86            87            88            89            90 
      1  -0.212713D+01 -0.420500D+00 -0.517023D+01 -0.397870D+00 -0.226901D+01
      2   0.531410D+01  0.177757D+01 -0.397870D+00  0.166881D+01 -0.270094D+01
      3   0.177757D+01 -0.288305D+01 -0.226901D+01 -0.270094D+01  0.227726D+01
                91            92            93            94            95 
      1   0.186192D+01 -0.573778D+00 -0.480115D+01 -0.998939D+00 -0.172580D+01
      2  -0.573778D+00 -0.153211D+01 -0.613397D+00 -0.172580D+01  0.520020D+01
      3  -0.480115D+01 -0.613397D+00 -0.190460D+01 -0.920869D+00  0.132609D+01
                96            97            98            99           100 
      1  -0.920869D+00 -0.436623D+01 -0.819109D+00 -0.177832D+01  0.231088D+01
      2   0.132609D+01 -0.819109D+00  0.217210D+01 -0.295692D+01 -0.351737D+00
      3  -0.358555D+01 -0.177832D+01 -0.295692D+01 -0.169883D-01 -0.214930D+01
               101           102           103           104           105 
      1  -0.351737D+00 -0.214930D+01 -0.912283D+00  0.653209D+00  0.124402D+01
      2   0.112192D+01  0.658801D+00  0.653209D+00 -0.107746D+01 -0.969754D+00
      3   0.658801D+00  0.339758D+01  0.124402D+01 -0.969754D+00 -0.251511D+01
               106           107           108           109           110 
      1  -0.170957D+01  0.452195D+00  0.213267D+01 -0.441780D+01  0.100794D+01
      2   0.452195D+00 -0.816594D+00 -0.101990D+01  0.100794D+01 -0.136103D+01
      3   0.213267D+01 -0.101990D+01 -0.625125D+01 -0.346074D+01  0.128175D+01
               111           112           113           114           115 
      1  -0.346074D+01  0.832195D+00 -0.919294D+00  0.850706D+00 -0.200677D+01
      2   0.128175D+01 -0.919294D+00  0.974844D+00 -0.885477D+00  0.754304D+00
      3  -0.375464D+01  0.850706D+00 -0.885477D+00  0.814988D+00 -0.205185D+01
               116           117           118           119           120 
      1   0.754304D+00 -0.205185D+01 -0.933454D+00  0.199226D+01 -0.625857D+00
      2  -0.579693D+00  0.693039D+00  0.199226D+01 -0.385405D+01  0.726825D+00
      3   0.693039D+00 -0.374391D+01 -0.625857D+00  0.726825D+00 -0.857857D+00
               121           122           123           124           125 
      1   0.143757D+01 -0.186617D+01  0.251960D+00 -0.324530D+00  0.359139D-01
      2  -0.186617D+01  0.884258D+01 -0.172892D+01  0.359139D-01 -0.792739D+00
      3   0.251960D+00 -0.172892D+01  0.123155D+01 -0.395336D+00  0.103469D+01
               126           127           128           129           130 
      1  -0.395336D+00  0.650848D+01  0.274107D+01 -0.215818D+01  0.133751D+01
      2   0.103469D+01  0.274107D+01  0.237336D+01 -0.122697D+01  0.137178D+01
      3  -0.365576D+00 -0.215818D+01 -0.122697D+01  0.193571D+01 -0.663738D+00
               131           132           133           134           135 
      1   0.137178D+01 -0.663738D+00 -0.181809D+01 -0.888658D+00  0.147247D+01
      2   0.201054D+01 -0.858954D+00 -0.888658D+00 -0.107258D+01  0.713899D+00
      3  -0.858954D+00  0.371567D+00  0.147247D+01  0.713899D+00 -0.127456D+01
               136           137           138           139           140 
      1  -0.235838D+00  0.136595D+00  0.126086D+01 -0.394241D+00 -0.297504D+00
      2   0.136595D+00 -0.597407D+00 -0.415821D+00 -0.297504D+00  0.184099D+00
      3   0.126086D+01 -0.415821D+00 -0.134464D+01  0.183707D+00  0.806713D+00
               141           142           143           144           145 
      1   0.183707D+00  0.164533D+01 -0.220138D+00 -0.151238D+01 -0.277114D+01
      2   0.806713D+00 -0.220138D+00  0.139451D+01  0.102602D+01  0.270013D+01
      3  -0.970424D+00 -0.151238D+01  0.102602D+01  0.908180D+01  0.263322D+00
               146           147           148           149           150 
      1   0.270013D+01  0.263322D+00  0.278816D+01 -0.310705D+01 -0.476686D+00
      2  -0.360705D+01 -0.737704D+00 -0.310705D+01  0.727515D+01  0.504545D+00
      3  -0.737704D+00 -0.804793D+00 -0.476686D+00  0.504545D+00  0.987584D+00
               151           152           153           154           155 
      1  -0.815907D+00  0.577502D+00 -0.409867D+00  0.374761D+01  0.243431D+01
      2   0.577502D+00 -0.115083D+01  0.866944D+00  0.243431D+01  0.267043D+01
      3  -0.409867D+00  0.866944D+00  0.589397D+00  0.259700D+01  0.152517D+01
               156           157           158           159           160 
      1   0.259700D+01  0.144672D+01  0.214650D+01  0.925570D+00  0.240494D+01
      2   0.152517D+01  0.214650D+01  0.293870D+01  0.186394D+01  0.142692D+01
      3   0.239476D+01  0.925570D+00  0.186394D+01  0.183973D+01  0.225984D+01
               161           162           163           164           165 
      1   0.142692D+01  0.225984D+01 -0.487620D+01 -0.179207D+01 -0.329000D+01
      2   0.214089D+01  0.247906D+01 -0.179207D+01 -0.208737D+01 -0.119745D+01
      3   0.247906D+01  0.352235D+01 -0.329000D+01 -0.119745D+01 -0.311717D+01
               166           167           168           169           170 
      1  -0.503093D+00 -0.883101D+00 -0.155406D+00 -0.288558D+01 -0.798602D+00
      2  -0.883101D+00 -0.458754D+00 -0.390778D+00 -0.798602D+00 -0.955489D+00
      3  -0.155406D+00 -0.390778D+00 -0.337335D+00 -0.243970D+01 -0.152894D+01
               171           172           173           174           175 
      1  -0.243970D+01 -0.703793D+00 -0.112670D+01 -0.168037D-01 -0.944735D+00
      2  -0.152894D+01 -0.112670D+01 -0.921144D+00  0.415000D+00 -0.835429D+00
      3  -0.337591D+01 -0.168037D-01  0.415000D+00 -0.438776D+00  0.328597D+00
               176           177           178           179           180 
      1  -0.835429D+00  0.328597D+00  0.581974D+00  0.834458D+00 -0.352399D+00
      2  -0.545685D+01  0.201305D+01  0.834458D+00  0.425142D+01 -0.199317D+01
      3   0.201305D+01 -0.175605D+01 -0.352399D+00 -0.199317D+01  0.259151D+01
               181           182           183           184           185 
      1   0.289659D+01 -0.160783D+01 -0.214495D+01 -0.986475D+00  0.126414D+01
      2  -0.160783D+01  0.268821D+01  0.170261D+01  0.126414D+01 -0.190867D+01
      3  -0.214495D+01  0.170261D+01  0.238778D+01  0.820249D+00 -0.938401D+00
               186           187           188           189           190 
      1   0.820249D+00 -0.197672D+01  0.100435D+01  0.140388D+01  0.641986D+00
      2  -0.938401D+00  0.100435D+01 -0.165358D+01 -0.206481D+01  0.928214D+00
      3  -0.121431D+01  0.140388D+01 -0.206481D+01 -0.318303D+01 -0.101891D+01
               191           192           193           194           195 
      1   0.928214D+00 -0.101891D+01  0.186892D+01  0.224121D+00 -0.429767D+00
      2   0.207030D+00 -0.223239D+00  0.224121D+00  0.101353D+01 -0.134932D+01
      3  -0.223239D+00  0.117962D+01 -0.429767D+00 -0.134932D+01  0.185907D+01
               196           197           198           199           200 
      1  -0.218315D+01 -0.883748D-01  0.183856D+01  0.129395D+01 -0.113656D+01
      2  -0.883748D-01 -0.161461D+01  0.156552D+01 -0.113656D+01  0.114089D+01
      3   0.183856D+01  0.156552D+01 -0.494261D+01  0.558257D-01  0.243561D+00
               201           202           203           204           205 
      1   0.558257D-01 -0.284819D+01  0.283971D+01  0.576086D+00  0.930723D-01
      2   0.243561D+00  0.283971D+01 -0.723338D+01 -0.117646D+01  0.380639D+00
      3   0.374893D+00  0.576086D+00 -0.117646D+01 -0.107286D+01  0.733187D+00
               206           207           208           209           210 
      1   0.380639D+00  0.733187D+00  0.720964D+01  0.824329D+00  0.254500D+01
      2  -0.977076D+00 -0.787652D+00  0.824329D+00  0.100837D+01  0.239042D+00
      3  -0.787652D+00 -0.706980D+00  0.254500D+01  0.239042D+00  0.172722D+01
               211           212           213           214           215 
      1   0.238220D+01  0.137966D+01  0.710667D+00  0.500419D+01  0.355381D+00
      2   0.137966D+01  0.188612D+00  0.372229D+00  0.355381D+00  0.720895D+00
      3   0.710667D+00  0.372229D+00  0.901530D+00  0.249581D+01  0.570232D+00
               216           217           218           219           220 
      1   0.249581D+01 -0.448338D+01  0.125429D+00  0.216946D+01  0.348711D+00
      2   0.570232D+00  0.125429D+00 -0.144004D+01  0.954541D+00 -0.855462D+00
      3   0.210776D+01  0.216946D+01  0.954541D+00 -0.289008D+01  0.395786D+00
               221           222           223           224           225 
      1  -0.855462D+00  0.395786D+00  0.192887D+01  0.354540D+00 -0.150981D+01
      2  -0.110993D+00  0.191414D+00  0.354540D+00  0.315297D+00 -0.145068D+00
      3   0.191414D+00  0.316010D+00 -0.150981D+01 -0.145068D+00  0.267231D+01
               226           227           228           229           230 
      1   0.344218D+01  0.146064D+00  0.330007D+01  0.117644D+01  0.796899D+00
      2   0.146064D+00  0.107821D+01 -0.312840D-01  0.796899D+00  0.988663D-01
      3   0.330007D+01 -0.312840D-01  0.402468D+01  0.102025D+01  0.647997D+00
               231           232           233           234           235 
      1   0.102025D+01  0.258525D+01  0.117514D+00  0.296448D+01  0.638042D+00
      2   0.647997D+00  0.117514D+00  0.590293D+00  0.332486D+00 -0.113574D+01
      3   0.208598D+01  0.296448D+01  0.332486D+00  0.563390D+01  0.613186D+00
               236           237           238           239           240 
      1  -0.113574D+01  0.613186D+00 -0.134480D+01  0.161552D+01 -0.236202D+00
      2   0.142593D+01 -0.191169D+00  0.161552D+01 -0.842945D+01  0.116993D+01
      3  -0.191169D+00  0.590106D+00 -0.236202D+00  0.116993D+01 -0.146838D+01
               241           242           243 
      1   0.123208D+00  0.242136D+00  0.284811D+00
      2   0.242136D+00 -0.857666D+00 -0.485932D+00
      3   0.284811D+00 -0.485932D+00 -0.130015D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.159405D+01  0.102871D+01  0.158715D+01  0.221872D+01 -0.592010D+01
      2   0.930182D+01 -0.204876D+00  0.364100D+01  0.146497D+01 -0.430943D+01
      3   0.784724D+00 -0.685214D+01 -0.199310D+01  0.919119D+00  0.727734D+01
                 6             7             8             9            10 
      1  -0.354314D+01  0.382322D+01  0.389817D+01  0.170927D+01 -0.402867D+01
      2   0.316407D+01 -0.351789D+01  0.342258D+01 -0.295720D+01 -0.184166D+01
      3   0.290488D+01 -0.241033D+01  0.297324D+01 -0.376249D+01 -0.209145D+01
                11            12            13            14            15 
      1  -0.238783D+01  0.412404D+00  0.116467D+01  0.450638D+01 -0.113011D+02
      2  -0.350985D+01  0.150000D+01 -0.335010D+01 -0.456743D+00  0.145201D+01
      3  -0.286376D+01  0.421238D+01  0.715038D+01  0.423936D+00  0.129183D+01
                16            17            18            19            20 
      1  -0.540324D+01 -0.584775D+00 -0.188911D+01  0.412252D+01  0.434950D+01
      2  -0.626008D+01  0.387823D+01 -0.554582D+01  0.484343D+01 -0.125819D+01
      3   0.386493D+01  0.266508D+01 -0.213782D+00 -0.407014D+00 -0.440011D+01
                21            22            23            24            25 
      1   0.482757D+01 -0.276875D+00  0.187988D+01  0.584595D+01  0.555920D+01
      2   0.112069D+02 -0.735858D+00 -0.819428D+00 -0.792647D+01  0.375094D+01
      3   0.358638D+00  0.509481D+00 -0.227350D+00 -0.167115D+01  0.653628D+00
                26            27            28            29            30 
      1   0.107392D+02 -0.172074D+01 -0.505601D+01 -0.683283D+01 -0.119045D+01
      2  -0.785262D+01  0.417185D+00 -0.194049D+01 -0.195292D+01  0.506726D+01
      3  -0.188350D+01  0.506697D+00 -0.828254D+01 -0.127590D+02  0.600182D+01
                31            32            33            34            35 
      1  -0.614581D+01 -0.241136D+01 -0.113125D+02 -0.737194D+00 -0.588418D+01
      2  -0.530190D+00  0.513246D+01  0.317754D+01  0.702325D+00  0.252410D+01
      3  -0.380938D+01  0.124733D+02  0.524828D+00  0.536024D+01  0.172177D+01
                36            37            38            39            40 
      1   0.683756D+01  0.410975D+01  0.742116D+00  0.483555D+00  0.262554D+00
      2  -0.438653D+01 -0.590931D+01 -0.106539D+01  0.445511D+01 -0.120572D+01
      3  -0.158435D+01  0.561286D+01 -0.256233D+01 -0.399779D+01  0.582520D+01
                41            42            43            44            45 
      1   0.552049D+01  0.119475D+01 -0.559169D+00  0.870052D+01 -0.810109D+01
      2   0.199591D+01 -0.135016D+01 -0.239341D+01 -0.815486D+00  0.342935D+01
      3  -0.971113D+01 -0.166485D+01 -0.335848D+01 -0.189020D+01 -0.150751D+00
                46            47            48            49            50 
      1   0.281697D+01  0.178788D+01  0.434901D+01  0.415762D+01 -0.131631D+02
      2  -0.365626D+01  0.751398D+01 -0.200107D+01  0.581747D+01 -0.244056D+01
      3   0.442774D+00  0.823659D+00 -0.711427D+01  0.592764D+01  0.173381D+01
                51            52            53            54            55 
      1  -0.211359D+01  0.117449D+01  0.101993D+02  0.139069D+02 -0.523641D+01
      2  -0.763360D+00 -0.103096D+02  0.111902D+01  0.551032D+01  0.267218D+01
      3  -0.286265D+01 -0.680256D+01 -0.297471D+01  0.173721D+00 -0.561800D+01
                56            57            58            59            60 
      1   0.615876D+01 -0.195129D+01  0.475406D+01 -0.575115D+01 -0.564017D+01
      2   0.845356D+00 -0.405641D+01  0.892719D+00 -0.723133D+01 -0.221399D+01
      3   0.371138D+01  0.527194D+01  0.669874D+01  0.178555D+01  0.158889D+01
                61            62            63            64            65 
      1  -0.463431D+00  0.493132D+01  0.111300D+02  0.690478D+01 -0.153538D+01
      2  -0.795558D+01 -0.125136D+00  0.729051D+01 -0.213628D+01  0.476221D+01
      3   0.374265D+01  0.298251D+00  0.298026D+01 -0.191760D+01 -0.944078D+01
                66            67            68            69            70 
      1   0.363577D+01 -0.270244D+01 -0.675557D+01  0.789732D+01  0.317913D+01
      2   0.794167D+01  0.269474D+01  0.188975D+01 -0.394010D+01  0.255164D+01
      3  -0.131245D+02 -0.194393D+01  0.160733D+01  0.829025D+00 -0.105111D+02
                71            72            73            74            75 
      1   0.152360D+02 -0.238577D+01 -0.571182D-01 -0.729372D+00 -0.429223D+01
      2  -0.540792D+01  0.709510D+00  0.361403D+01  0.328126D+00  0.128627D+02
      3  -0.132767D+00  0.118794D+00 -0.330415D+01 -0.138900D+02  0.185580D+00
                76            77            78            79            80 
      1  -0.273558D+01  0.254349D+01 -0.145632D+01  0.915794D+00 -0.120289D+01
      2  -0.114647D+01  0.257851D+01  0.340920D+01  0.441463D+01  0.534316D+00
      3  -0.347271D+01 -0.730402D+01  0.319979D+00  0.463347D+00  0.746721D+00
                81            82            83            84            85 
      1  -0.497671D+01 -0.222293D+01 -0.508119D-02 -0.171120D+01 -0.205369D-02
      2  -0.158984D+01 -0.119765D+02 -0.679284D+00 -0.482936D+01 -0.209358D+01
      3  -0.248142D+01  0.595018D+01  0.364116D+01  0.316407D+01  0.116498D+02
                86            87            88            89            90 
      1   0.891739D+00 -0.462251D+01 -0.367871D+01 -0.532766D+00  0.304765D+01
      2   0.584879D+01 -0.823019D+01 -0.124167D+02 -0.722189D+01  0.837463D+01
      3  -0.147988D+02 -0.608818D+01  0.449324D+01 -0.563801D+01  0.978432D+01
                91            92            93            94            95 
      1  -0.874317D+01 -0.402232D+01 -0.376661D+01 -0.590960D+01  0.156088D+02
      2  -0.103344D+02 -0.497405D+00  0.128000D+02  0.259983D+00  0.482932D+01
      3  -0.299508D+01 -0.572340D-01  0.881685D+01  0.461073D+01 -0.389157D+01
                96            97            98            99           100 
      1  -0.554746D+01 -0.385181D+01  0.302270D+01 -0.866921D+01  0.639570D+00
      2  -0.132207D+01  0.647829D+01 -0.187404D+01  0.331794D+01  0.704854D+01
      3  -0.336710D-01  0.712336D+01 -0.163676D+01  0.517608D+01  0.107206D+01
               101           102           103           104           105 
      1  -0.467449D+01 -0.238187D+01 -0.588758D+00  0.403153D+01  0.399493D-01
      2  -0.151038D+01 -0.262357D+01 -0.265812D+01  0.136850D+01  0.171234D+01
      3  -0.138837D+01 -0.885137D+00  0.724260D+00  0.318981D+00  0.286419D+00
               106           107           108           109           110 
      1  -0.176488D+01  0.508747D+01  0.350904D+01 -0.247829D+00  0.387185D+01
      2  -0.565825D+01  0.136467D+01  0.369854D+01 -0.108869D+02  0.152760D+01
      3  -0.315123D+00  0.139204D+01  0.744468D+00 -0.304151D+01 -0.192164D+01
               111           112           113           114           115 
      1  -0.209777D+00  0.109684D+01 -0.172163D+01 -0.383371D+00  0.107439D+00
      2  -0.416480D+01  0.232823D+01 -0.172457D+01  0.185058D+01 -0.543577D+01
      3  -0.167082D+01  0.145363D+01  0.163214D+00  0.556548D+00 -0.153531D+01
               116           117           118           119           120 
      1   0.182748D+01  0.585491D+00 -0.398143D+00  0.306008D+01  0.294228D+01
      2   0.154564D+01 -0.336591D+01 -0.193955D+01  0.227474D+01  0.449605D-01
      3  -0.585749D+00 -0.136891D+01 -0.486502D+01  0.613340D+01 -0.175154D+01
               121           122           123           124           125 
      1   0.186296D+01 -0.564706D+01 -0.437261D+01  0.936508D+00  0.114778D+00
      2   0.212535D+01 -0.342923D+01  0.409634D+00 -0.145854D+01  0.957960D+00
      3   0.768630D+01 -0.100923D+02  0.150231D+01 -0.963106D+00  0.720847D+00
               126           127           128           129           130 
      1  -0.623402D+00  0.285769D+01 -0.799263D+00 -0.467057D+01  0.800310D-01
      2  -0.228331D+00  0.648461D+01  0.139189D+01  0.184186D+01  0.726366D+00
      3  -0.181798D+01  0.149814D+02  0.134445D+01 -0.375203D+01  0.258981D+01
               131           132           133           134           135 
      1   0.370069D+00 -0.834731D+00 -0.267328D+01  0.134545D+01  0.183762D+01
      2   0.687438D+00  0.212460D+00 -0.213787D+01 -0.456706D+00 -0.235938D+00
      3   0.900294D+00 -0.996351D+00 -0.410004D+01 -0.702152D+00  0.301189D+01
               136           137           138           139           140 
      1  -0.144730D+01  0.384783D+00  0.246063D+01  0.580935D+00 -0.176841D+01
      2  -0.123210D+01  0.723783D+00  0.131038D+01  0.832830D+00 -0.459896D+00
      3   0.190150D+00 -0.191708D+01  0.844315D+00  0.117369D+00 -0.153857D+01
               141           142           143           144           145 
      1   0.360959D+01  0.251095D+01  0.169943D+01 -0.170012D+02  0.327533D+01
      2   0.220985D+01 -0.316056D+01 -0.994718D+00 -0.991379D+01  0.331755D+01
      3   0.981951D+00  0.245866D+01  0.190797D+01 -0.255289D+01 -0.131275D+01
               146           147           148           149           150 
      1  -0.636039D+01  0.285755D+00 -0.405289D+01  0.109841D+02 -0.242211D+01
      2  -0.343575D+01  0.222203D+01 -0.385857D+01  0.533517D+01 -0.106287D+01
      3  -0.218868D+01 -0.823521D+00  0.377861D+01  0.443108D+01 -0.458401D+00
               151           152           153           154           155 
      1   0.111366D+01 -0.298613D+01  0.576960D+00 -0.205056D+01  0.129392D+01
      2   0.830250D+00 -0.166356D+01  0.612546D+00 -0.204469D+01 -0.602663D+00
      3  -0.121389D+01 -0.117324D+01  0.217367D+00  0.513818D+01 -0.579683D+00
               156           157           158           159           160 
      1  -0.353757D+01 -0.302386D+00 -0.122239D+00 -0.371664D+01 -0.194645D+01
      2   0.175254D+01 -0.146460D+01 -0.307245D+00  0.132222D+01 -0.213820D+01
      3   0.280441D+01  0.287886D+01  0.635190D+00  0.489557D+00  0.376468D+01
               161           162           163           164           165 
      1   0.369101D+00 -0.407091D+01 -0.428267D+01  0.152358D+01 -0.572594D+01
      2   0.984823D+00  0.215205D+01 -0.538978D+01 -0.104140D+01  0.270586D+00
      3  -0.719259D+00  0.142047D+01  0.108881D+02 -0.257755D+00  0.643870D+01
               166           167           168           169           170 
      1   0.142456D+00 -0.215128D+00 -0.141499D+01 -0.427343D+01 -0.758327D-01
      2  -0.526724D+00 -0.958006D+00  0.541060D-01 -0.355660D+01 -0.692307D-01
      3   0.142316D+01  0.150063D+01  0.610392D+00  0.655812D+01  0.204725D+00
               171           172           173           174           175 
      1  -0.514648D+01  0.120113D+01  0.194126D+01 -0.135207D+01  0.186830D+01
      2   0.289523D-01 -0.515146D+00 -0.162294D+01  0.113474D+01 -0.653214D+00
      3   0.461097D+01  0.917299D+00  0.854214D+00  0.109640D+00  0.373490D+01
               176           177           178           179           180 
      1   0.109584D+02 -0.960218D+01 -0.115503D+01 -0.858385D+01  0.110375D+02
      2  -0.270234D+01  0.215008D+01 -0.385987D+00  0.260368D+01 -0.327538D+01
      3  -0.206108D+01  0.765578D+00 -0.233050D+01  0.157821D+01 -0.980952D+00
               181           182           183           184           185 
      1  -0.259648D+01 -0.156718D+01  0.386519D+01  0.266454D+00  0.490031D+00
      2   0.707134D+01 -0.289606D+01 -0.271993D+01 -0.222230D+01  0.208234D+01
      3  -0.964486D+01  0.320752D+01  0.565315D+01  0.436951D+01 -0.314958D+01
               186           187           188           189           190 
      1  -0.286417D+01  0.178223D+01 -0.281315D+00 -0.404878D+01 -0.127210D+01
      2   0.137561D+01 -0.522105D+01  0.239413D+01  0.284813D+01 -0.306889D+01
      3  -0.240749D+01  0.605115D+01 -0.218000D+01 -0.426880D+01 -0.311800D+01
               191           192           193           194           195 
      1  -0.412321D+00  0.550565D+00  0.308918D+00 -0.248230D+01  0.131552D+01
      2   0.118217D+00  0.308453D+01  0.107074D+01 -0.473291D+01  0.662726D+01
      3  -0.119949D+01  0.124273D+01  0.875027D+00 -0.503207D+01  0.486474D+01
               196           197           198           199           200 
      1   0.708786D+00  0.442738D+01 -0.365811D+01  0.313635D+00 -0.489605D+00
      2   0.454311D+00  0.590710D+01 -0.156795D+02  0.422549D+00  0.322828D+00
      3   0.425901D+00  0.650240D+01 -0.624659D+01  0.233231D+01 -0.345560D+01
               201           202           203           204           205 
      1   0.536523D+00 -0.326182D-01  0.143070D+01 -0.338354D+01  0.346308D+00
      2   0.171465D+01  0.691774D+00 -0.326751D+01 -0.409831D+01  0.874916D+00
      3  -0.690040D+00 -0.222651D+01  0.200201D+02  0.310425D+01 -0.771979D+00
               206           207           208           209           210 
      1   0.692461D+00 -0.692226D+00  0.175964D+01  0.883570D+00  0.836869D+00
      2  -0.178839D+01 -0.204563D+01  0.781475D+01  0.133053D+01  0.832950D+01
      3   0.317910D+01  0.160092D+01 -0.652164D+01 -0.580065D+01 -0.256287D+01
               211           212           213           214           215 
      1   0.615268D+00  0.696496D+00 -0.280883D+00  0.189311D+01  0.164353D+01
      2   0.197306D+01  0.102824D+01  0.347103D+01  0.543063D+01  0.179820D+01
      3  -0.363564D+01 -0.187059D+01 -0.127279D+01 -0.377582D+01 -0.367325D+01
               216           217           218           219           220 
      1   0.821907D+00  0.461891D+01 -0.403192D+01 -0.217817D+01 -0.239149D+01
      2   0.742663D+01  0.152972D+02 -0.103137D+01 -0.475938D+01 -0.126877D+01
      3  -0.323587D+01  0.815545D+01 -0.199894D+01 -0.331282D+01  0.254986D+00
               221           222           223           224           225 
      1   0.126113D+01 -0.236863D+00 -0.186892D+01  0.168548D+01  0.289108D+01
      2   0.283210D+01 -0.668908D+00 -0.741589D+01 -0.655544D+00  0.443228D+01
      3   0.166673D+01 -0.824894D+00 -0.330366D+01  0.161800D+00  0.224012D+01
               226           227           228           229           230 
      1   0.478115D+01  0.401386D+01  0.510220D+01  0.276388D+01  0.172939D+01
      2  -0.494250D+01 -0.835668D+00 -0.567145D+00 -0.206251D+01 -0.846024D+00
      3  -0.390845D+01 -0.315833D+01 -0.374378D+01 -0.131399D+01 -0.147311D+01
               231           232           233           234           235 
      1   0.281320D+01  0.416566D+01  0.407725D+01  0.779836D+01 -0.135572D+01
      2   0.635902D+00 -0.555586D+01 -0.362750D-02  0.485679D-01 -0.197490D+00
      3  -0.164164D+01 -0.354872D+01 -0.188921D+01 -0.409106D+01  0.450261D-01
               236           237           238           239           240 
      1   0.280809D+01  0.109227D+01  0.312080D+01 -0.176716D+02 -0.358019D+01
      2   0.173187D+01  0.454082D+00  0.289849D+01 -0.192329D+01 -0.165747D+01
      3  -0.830281D+00 -0.408232D+00  0.331363D+01  0.672929D+01 -0.818722D+00
               241           242           243 
      1   0.676564D+00 -0.175924D+01 -0.197936D+01
      2  -0.599081D+00 -0.622159D+00 -0.953611D+00
      3  -0.193378D-01  0.102666D+01  0.169764D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.108871D+02  0.366220D+01  0.138313D+02  0.514492D+01  0.771005D+01
      2  -0.209908D+00 -0.263856D+01 -0.891018D+01 -0.421032D+01 -0.180758D+01
      3   0.110970D+02 -0.102364D+01 -0.492115D+01 -0.934601D+00 -0.590247D+01
      4   0.462960D+00  0.397431D+01 -0.489114D+01  0.543035D+01 -0.115523D+02
      5   0.123209D+02 -0.109116D+01  0.723883D+01  0.627417D+00  0.302643D+00
      6  -0.738924D+01  0.229668D+01 -0.119667D+01  0.282540D+01 -0.463484D+01
                 6             7             8             9            10 
      1  -0.465807D+01  0.175643D+02 -0.320133D+01  0.973473D+01  0.590796D+00
      2  -0.346788D+01 -0.973668D+01 -0.153621D+01 -0.438795D+01 -0.256069D+00
      3   0.812595D+01 -0.782763D+01  0.473753D+01 -0.534678D+01 -0.334727D+00
      4  -0.617779D+00 -0.427970D+01 -0.698554D-01  0.198709D+01  0.573004D+01
      5   0.607684D+01  0.855700D+01  0.509341D+01 -0.162952D+01 -0.127945D+01
      6  -0.402587D+01 -0.144268D+01 -0.451423D+01  0.364359D+01  0.685251D+01
                11            12            13            14            15 
      1   0.519539D+01  0.101085D+01  0.644770D+01  0.647832D+00 -0.114046D+02
      2  -0.209305D+01  0.328867D+01  0.114563D+00  0.563040D+01 -0.393340D+01
      3  -0.310234D+01 -0.429952D+01 -0.656227D+01 -0.627823D+01  0.153380D+02
      4   0.282127D+01  0.306545D+01  0.279957D+00  0.854602D+00 -0.151967D+01
      5  -0.183344D+01  0.353863D+01 -0.187594D+01 -0.211622D+01 -0.400008D+01
      6  -0.158093D+01  0.620220D+00 -0.772513D+00  0.234574D+01 -0.457865D+01
                16            17            18            19            20 
      1  -0.130529D+02 -0.664211D+01 -0.149538D+01  0.610794D+01 -0.257340D+01
      2   0.482280D+01 -0.360189D+01  0.561331D+00  0.110385D+02 -0.109638D+02
      3   0.823012D+01  0.102440D+02  0.934049D+00 -0.171465D+02  0.135372D+02
      4   0.593513D+01 -0.404048D+01  0.236491D+01  0.403722D+01 -0.263633D+01
      5   0.187211D+01 -0.306651D+00  0.292511D+00 -0.939945D+01  0.309957D+01
      6  -0.447650D-02 -0.484256D+00  0.103682D+02  0.409512D+01 -0.921081D+00
                21            22            23            24            25 
      1  -0.798404D+01 -0.972301D+01 -0.613673D+01  0.128909D+02 -0.149434D+01
      2  -0.408252D+01 -0.733168D+01 -0.610183D+01  0.108640D+01 -0.559791D+01
      3   0.120666D+02  0.170547D+02  0.122386D+02 -0.139773D+02  0.709225D+01
      4   0.305326D+01 -0.253088D+01 -0.313359D+01 -0.181336D+01  0.110821D+01
      5  -0.196630D+02  0.492667D+01  0.254840D+01  0.111366D+02 -0.130280D+02
      6   0.988626D+01 -0.242510D+01 -0.465267D+01  0.679182D+01  0.737999D+01
                26            27            28            29            30 
      1   0.680803D+01  0.210147D+01 -0.456024D+01 -0.155036D+02  0.577266D+01
      2   0.258731D+00  0.104067D+02 -0.595693D+01  0.246981D+02  0.720083D+00
      3  -0.706676D+01 -0.125082D+02  0.105172D+02 -0.919450D+01 -0.649275D+01
      4  -0.202444D+01  0.334283D+01 -0.171765D+02 -0.111591D+02  0.116495D+02
      5   0.763282D+01  0.293660D+01  0.110840D+02  0.755305D+01 -0.302002D+01
      6   0.528428D+01 -0.515731D+01  0.142937D+02 -0.145131D+01 -0.472225D+01
                31            32            33            34            35 
      1  -0.990522D+01  0.153338D+02 -0.729737D-01  0.466516D+01  0.149622D+01
      2   0.169702D+02 -0.216977D+02  0.890438D+01  0.936934D+00  0.734942D+01
      3  -0.706498D+01  0.636390D+01 -0.883140D+01 -0.560209D+01 -0.884564D+01
      4  -0.301456D+01  0.118821D+02  0.159214D+01  0.961041D+01  0.339087D+01
      5   0.271891D+01 -0.361069D+01  0.135936D+00 -0.413762D+01  0.529133D+00
      6  -0.183093D+01  0.852321D+01  0.163629D+01 -0.287121D+01  0.338072D+01
                36            37            38            39            40 
      1  -0.805579D+01  0.508013D+00  0.398958D+01 -0.231364D+00  0.272750D+01
      2   0.647025D+01  0.194244D+01 -0.872985D+01 -0.316067D+01 -0.548674D+01
      3   0.158554D+01 -0.245045D+01  0.474028D+01  0.339203D+01  0.275923D+01
      4   0.297593D+01  0.131296D+01 -0.713504D+01 -0.111958D+02 -0.618424D+01
      5  -0.186351D+01 -0.446541D+01 -0.829254D+01 -0.926032D+01 -0.434447D+01
      6  -0.106230D+02 -0.122878D+02 -0.105995D+02 -0.361044D+01 -0.775146D+01
                41            42            43            44            45 
      1  -0.850794D+01 -0.439125D+00 -0.262022D+01 -0.118697D+01  0.281738D+01
      2   0.120366D+02 -0.566706D+00  0.211612D+00 -0.540573D+00 -0.793837D+01
      3  -0.352864D+01  0.100583D+01  0.240861D+01  0.172754D+01  0.512099D+01
      4  -0.265988D+01 -0.490695D+01 -0.868641D+01 -0.478911D+01 -0.111104D+02
      5  -0.519297D+01 -0.688407D+01 -0.762995D+01 -0.900980D+01 -0.499740D+01
      6   0.123567D+01 -0.801388D+01 -0.628450D+01 -0.115311D+02  0.297060D+01
                46            47            48            49            50 
      1  -0.527699D+02 -0.685170D+01  0.317676D+01 -0.177579D+02  0.118377D+01
      2   0.248645D+02 -0.148287D+01 -0.332620D+01  0.852404D+01 -0.342576D+01
      3   0.279054D+02  0.833458D+01  0.149440D+00  0.923390D+01  0.224199D+01
      4  -0.137845D+02 -0.742119D+01  0.261627D+01  0.183768D+00 -0.380281D+01
      5   0.519218D+01  0.489167D+01 -0.699586D+01  0.268877D+01  0.829880D+00
      6   0.685147D+00  0.359542D+00 -0.590312D+01  0.313548D+01 -0.534409D+01
                51            52            53            54            55 
      1   0.117567D+02  0.119582D+01  0.101712D+02 -0.499949D+00  0.248023D+01
      2  -0.847394D+00  0.150690D+01 -0.592789D+01 -0.201160D+01 -0.707070D+01
      3  -0.109093D+02 -0.270271D+01 -0.424333D+01  0.251155D+01  0.459047D+01
      4   0.227116D+01 -0.935091D+00  0.372374D+01 -0.268628D+01  0.160723D+01
      5  -0.429667D+01  0.430565D+01 -0.875942D+00 -0.434619D+00 -0.254257D+01
      6  -0.309242D+01 -0.439494D+00  0.189031D+00 -0.622825D+01  0.380743D+01
                56            57            58            59            60 
      1  -0.726348D+01 -0.692037D+01  0.145749D+01 -0.253564D+01 -0.868295D+01
      2   0.163303D+02  0.209043D+01  0.915815D+01 -0.113738D+02  0.356180D-01
      3  -0.906677D+01  0.482994D+01 -0.106156D+02  0.139094D+02  0.864733D+01
      4  -0.129590D+02  0.473734D+00 -0.852736D+01  0.172035D+02 -0.155808D+01
      5  -0.169476D+01  0.153187D+00 -0.424110D+00  0.303542D+01 -0.573562D+00
      6   0.983447D+01  0.321469D+01  0.395444D+01  0.102076D+01  0.926332D+01
                61            62            63            64            65 
      1   0.180823D+01 -0.343182D+01  0.964820D+01  0.560125D+01 -0.581783D+01
      2  -0.514072D+01  0.840646D+01  0.154542D+02  0.418851D+01  0.283412D+01
      3   0.333249D+01 -0.497464D+01 -0.251024D+02 -0.978976D+01  0.298371D+01
      4   0.355869D+01 -0.401932D+01  0.563450D+01 -0.530996D+01 -0.879514D+01
      5   0.837861D+00  0.578513D+00  0.129474D+02 -0.891970D+01 -0.795134D+01
      6   0.123286D+01  0.613244D+01 -0.815521D+01 -0.206444D+02  0.795065D+01
                66            67            68            69            70 
      1  -0.970510D+01 -0.525646D+01 -0.275431D+01 -0.276857D+01 -0.800820D+01
      2   0.115085D+02  0.158286D+01 -0.268114D+01  0.179402D+02  0.106429D+02
      3  -0.180335D+01  0.367360D+01  0.543545D+01 -0.151716D+02 -0.263471D+01
      4  -0.185427D+02 -0.592279D+01  0.235855D+01  0.902980D+01 -0.161006D+02
      5  -0.175705D+02 -0.386610D+01  0.739501D+01  0.571720D+00 -0.145534D+02
      6  -0.159019D+00  0.762301D+01  0.151368D+02 -0.558445D+01 -0.287291D+00
                71            72            73            74            75 
      1  -0.609679D+01  0.306708D+01  0.105251D+03  0.134477D+02 -0.394507D+01
      2   0.213642D+02 -0.750836D+01 -0.510515D+02 -0.359134D+01  0.301571D+01
      3  -0.152674D+02  0.444128D+01 -0.541996D+02 -0.985638D+01  0.929357D+00
      4   0.983359D+01 -0.441294D+01  0.185417D+02  0.205513D+02 -0.196799D+01
      5  -0.762012D+00 -0.140649D+01 -0.870623D+01 -0.284130D+01  0.183546D+02
      6  -0.964953D+01 -0.599862D+01 -0.494318D+01 -0.245581D+01  0.371527D+01
                76            77            78            79            80 
      1   0.161732D+02  0.136956D+02 -0.283672D+01  0.148662D+01 -0.218185D+01
      2  -0.665493D+01 -0.164024D+01  0.153569D+01  0.190714D+01  0.107543D+01
      3  -0.951826D+01 -0.120554D+02  0.130103D+01 -0.339376D+01  0.110642D+01
      4   0.246690D+02  0.127898D+02 -0.307951D+01 -0.293339D+01 -0.195595D+01
      5  -0.445995D+01 -0.374461D+01  0.504741D+01  0.210404D+02  0.467131D+01
      6  -0.361535D+01 -0.188398D+01  0.533678D+01  0.255904D+01  0.422345D+01
                81            82            83            84            85 
      1   0.108811D+02 -0.194749D+01 -0.121053D+02 -0.249970D+02 -0.177259D+02
      2  -0.993128D+01  0.336874D+01  0.876286D+01  0.130549D+02  0.151301D+02
      3  -0.949855D+00 -0.142125D+01  0.334248D+01  0.119421D+02  0.259583D+01
      4   0.401352D+01 -0.110650D+02 -0.559647D+01  0.127671D+01 -0.989222D+01
      5  -0.459944D+01 -0.252078D+02 -0.868699D+00 -0.103261D+02 -0.392371D+01
      6  -0.797622D+00  0.442311D+01  0.900280D+00  0.898077D+00  0.162636D+01
                86            87            88            89            90 
      1  -0.499191D+00 -0.770556D+00 -0.306573D+02 -0.601894D+00 -0.134072D+02
      2  -0.100681D+02 -0.256558D+01  0.156496D+02 -0.290212D+01  0.107671D+02
      3   0.105673D+02  0.333614D+01  0.150078D+02  0.350402D+01  0.264004D+01
      4   0.265420D+02  0.717126D+01 -0.891928D+00  0.670925D+01 -0.995824D+01
      5   0.721479D+01 -0.127628D+02 -0.150003D+02 -0.115636D+02  0.898371D+01
      6  -0.560268D+01  0.143375D+01  0.603357D+00  0.165632D+01 -0.871016D+00
                91            92            93            94            95 
      1   0.109602D+02 -0.246910D+01 -0.810062D+01 -0.395584D+01  0.324667D+01
      2   0.109849D+02  0.859826D+01  0.133030D+02  0.114979D+02 -0.240571D+02
      3  -0.219451D+02 -0.612916D+01 -0.520236D+01 -0.754203D+01  0.208105D+02
      4  -0.572814D+01 -0.183742D+01  0.664042D+01 -0.231866D+01  0.144172D+02
      5  -0.342661D+01 -0.231367D+01 -0.226873D+02 -0.541781D+01 -0.272303D+01
      6   0.486756D+01 -0.261764D+01 -0.323921D+01 -0.395473D+01  0.109768D+02
                96            97            98            99           100 
      1   0.588696D+01 -0.795149D+01  0.730721D+01 -0.105131D+02 -0.697191D+00
      2   0.780318D+01  0.132749D+02  0.547800D+00  0.136892D+02 -0.918789D+01
      3  -0.136901D+02 -0.532346D+01 -0.785501D+01 -0.317608D+01  0.988508D+01
      4   0.185599D+01  0.591323D+01  0.422519D+01 -0.268829D+01 -0.120250D+01
      5  -0.104426D+02 -0.209120D+02 -0.709763D+01 -0.902347D+01 -0.989506D+01
      6   0.921286D+01 -0.140349D+01  0.102302D+02 -0.108635D+02 -0.123061D+00
               101           102           103           104           105 
      1  -0.339433D+00  0.790658D+01  0.248433D+01 -0.293833D+01 -0.773679D+01
      2   0.393312D+01  0.114479D+02  0.334481D+01 -0.147330D+01 -0.671038D+01
      3  -0.359369D+01 -0.193545D+02 -0.582914D+01  0.441163D+01  0.144472D+02
      4   0.216999D+01 -0.243999D+00  0.178270D+01 -0.105499D+01 -0.122913D+01
      5   0.207588D+01  0.147125D+02  0.279687D+01 -0.369218D+01 -0.466224D+01
      6  -0.445592D+01 -0.891367D+00 -0.253947D+01  0.509297D+01  0.614985D+01
               106           107           108           109           110 
      1   0.450139D+01 -0.244999D+01 -0.166707D+02  0.355381D+01  0.191190D+01
      2   0.751145D+01 -0.348078D+01 -0.217694D+02 -0.120478D+02  0.111828D+01
      3  -0.120128D+02  0.593076D+01  0.384401D+02  0.849400D+01 -0.303018D+01
      4  -0.249704D+00 -0.128308D+01 -0.110589D+01 -0.901651D+01  0.559123D+01
      5   0.115277D+02 -0.324185D+01 -0.138181D+02  0.220881D+02 -0.498845D+01
      6  -0.103394D+01  0.553825D+01  0.138301D+01 -0.736027D+01  0.736223D+01
               111           112           113           114           115 
      1  -0.289473D+01  0.134269D+01 -0.164543D+01  0.215785D+01 -0.181253D+01
      2  -0.105666D+02  0.111594D+01  0.147066D+01  0.225899D+00 -0.621611D+01
      3   0.134614D+02 -0.245863D+01  0.174773D+00 -0.238374D+01  0.802864D+01
      4  -0.683325D+01  0.581243D+01 -0.263903D+01  0.351197D+01 -0.405892D+01
      5   0.202159D+02 -0.435407D+01  0.411916D+01 -0.464133D+01  0.131900D+02
      6  -0.910116D+01  0.536200D+01 -0.548731D+01  0.729660D+01 -0.583904D+01
               116           117           118           119           120 
      1   0.162250D+01 -0.688048D+01 -0.261402D+01  0.119173D+02 -0.378297D+01
      2   0.270611D+00 -0.116920D+02  0.841164D+01 -0.215416D+02  0.269026D+01
      3  -0.189311D+01  0.185725D+02 -0.579761D+01  0.962426D+01  0.109271D+01
      4   0.207842D+01 -0.495151D+01 -0.559074D+01  0.114050D+02 -0.302285D+01
      5  -0.403409D+01  0.134040D+02  0.124698D+01 -0.368860D+01  0.228172D+01
      6   0.509814D+01 -0.774823D+01 -0.520845D+01  0.867511D+01 -0.513597D+01
               121           122           123           124           125 
      1   0.669871D+01 -0.304503D+02  0.621772D+01 -0.133622D+01  0.363391D+01
      2  -0.110504D+02  0.550699D+02 -0.812483D+01  0.121150D+00 -0.316545D+01
      3   0.435174D+01 -0.246197D+02  0.190711D+01  0.121507D+01 -0.468456D+00
      4   0.891563D+01 -0.751433D+01  0.644012D+00 -0.155233D+01  0.344921D+00
      5  -0.293240D+01  0.240717D+01 -0.626065D+00  0.209031D+01 -0.657995D+00
      6   0.351217D+01 -0.202837D+02  0.108685D+02 -0.240958D+01  0.100002D+02
               126           127           128           129           130 
      1  -0.484611D+01  0.180025D+02  0.245192D+01 -0.162236D+01  0.877324D+00
      2   0.462146D+01 -0.302534D+01  0.532284D+01  0.593554D+00  0.334590D+01
      3   0.224654D+00 -0.149772D+02 -0.777476D+01  0.102881D+01 -0.422323D+01
      4  -0.217185D+01  0.298157D+02  0.189897D+02 -0.108287D+02  0.115258D+02
      5   0.969566D+00 -0.181679D+02 -0.862708D+01  0.103229D+02 -0.390824D+01
      6  -0.327498D+01 -0.134110D+02 -0.960817D+01  0.105717D+02 -0.524449D+01
               131           132           133           134           135 
      1  -0.134075D+01  0.756805D+00 -0.205446D+01  0.969055D+00  0.798552D+00
      2   0.835696D+01 -0.305429D+01  0.179395D+01 -0.259247D+01 -0.307343D+01
      3  -0.701622D+01  0.229748D+01  0.260506D+00  0.162341D+01  0.227487D+01
      4   0.930680D+01 -0.442276D+01 -0.846094D+01 -0.559948D+01  0.681027D+01
      5  -0.422482D+01  0.271790D+01  0.101864D+02  0.450262D+01 -0.686224D+01
      6  -0.733258D+01  0.448090D+01  0.801805D+01  0.668716D+01 -0.677576D+01
               136           137           138           139           140 
      1  -0.754627D+00  0.114717D+01 -0.848257D-01  0.204331D+01 -0.307125D+01
      2  -0.393760D+01 -0.111443D+01  0.434572D+01 -0.279877D+01  0.889353D+00
      3   0.469223D+01 -0.327350D-01 -0.426089D+01  0.755452D+00  0.218190D+01
      4  -0.129940D+01  0.409572D+01  0.359697D+01  0.120592D+01 -0.216605D+01
      5  -0.482745D+01  0.132422D+01  0.102698D+02 -0.230278D+01 -0.164216D+01
      6   0.197378D+01 -0.217057D+01 -0.271490D+01 -0.776173D+00  0.130716D+01
               141           142           143           144           145 
      1   0.158641D+00 -0.105173D+01 -0.511076D+01 -0.231288D+02  0.589649D+01
      2   0.568882D+01  0.529738D+01  0.808245D+00 -0.219915D+02  0.535106D+01
      3  -0.584747D+01 -0.424565D+01  0.430252D+01  0.451202D+02 -0.112475D+02
      4  -0.111991D+01  0.382220D+01 -0.298682D+01 -0.679863D+01 -0.165945D+02
      5   0.323667D+01  0.953538D+01 -0.317456D+01 -0.206152D+02 -0.415658D+01
      6   0.445981D+01 -0.412436D+01  0.878422D+01  0.206066D+02  0.387586D+01
               146           147           148           149           150 
      1   0.219845D+00  0.150374D+01 -0.125478D+00 -0.124796D+02 -0.184907D+01
      2  -0.111953D+02 -0.137543D+01 -0.105224D+02  0.341352D+02  0.146508D+01
      3   0.109755D+02 -0.128307D+00  0.106478D+02 -0.216556D+02  0.383984D+00
      4   0.210950D+02  0.334469D+01  0.176610D+02 -0.282126D+02 -0.283293D+01
      5   0.571201D+01  0.403555D+01  0.435199D+01 -0.440900D+01 -0.322957D+01
      6  -0.691520D+01 -0.411309D+01 -0.575393D+01  0.119680D+02  0.663373D+01
               151           152           153           154           155 
      1   0.241170D+01 -0.202615D+00 -0.348203D+01  0.577499D+01 -0.592419D+00
      2   0.828731D+00 -0.550430D+01  0.146098D+01 -0.699639D+00  0.541511D+01
      3  -0.324043D+01  0.570691D+01  0.202106D+01 -0.507535D+01 -0.482270D+01
      4  -0.366687D+01  0.444012D+01 -0.387678D+01  0.158695D+02  0.150341D+02
      5   0.129558D+01 -0.247517D+01 -0.117837D+01  0.137309D+02  0.851128D+01
      6  -0.219398D+01  0.448973D+01  0.191166D+01  0.109162D+02  0.960966D+01
               156           157           158           159           160 
      1   0.101717D+01 -0.159769D+01 -0.526160D+01 -0.362855D+01  0.577635D+00
      2  -0.115086D+01  0.541142D+01  0.109931D+02  0.449649D+01 -0.147494D+01
      3   0.133691D+00 -0.381373D+01 -0.573150D+01 -0.867937D+00  0.897302D+00
      4   0.107385D+02  0.117861D+02  0.124567D+02  0.759713D+01  0.961398D+01
      5   0.121283D+02  0.559599D+01  0.734697D+01  0.554016D+01  0.117574D+02
      6   0.976245D+01  0.759144D+01  0.115298D+02  0.119656D+02  0.941811D+01
               161           162           163           164           165 
      1  -0.430971D+01 -0.550958D+01  0.899185D+01 -0.193213D+01  0.131765D+01
      2   0.353996D+01 -0.349704D+00 -0.917512D+01  0.497674D+01 -0.786101D+01
      3   0.769743D+00  0.585928D+01  0.183268D+00 -0.304461D+01  0.654336D+01
      4   0.882768D+01  0.104780D+02  0.203858D+02  0.123228D+02  0.140151D+02
      5   0.791713D+01  0.130465D+02  0.209731D+02  0.758459D+01  0.180685D+02
      6   0.143027D+02  0.159705D+02  0.141311D+02  0.898912D+01  0.132407D+02
               166           167           168           169           170 
      1  -0.809238D+00 -0.617885D+00 -0.102709D+01  0.204681D+01 -0.239914D+01
      2   0.317460D+01  0.242911D+01  0.139652D+01 -0.729195D+01  0.407880D+00
      3  -0.236536D+01 -0.181122D+01 -0.369426D+00  0.524514D+01  0.199126D+01
      4   0.631979D+01  0.462589D+01  0.288267D+01  0.122412D+02  0.523415D+01
      5   0.189773D+01  0.332207D+01  0.111560D+01  0.155493D+02  0.489650D+01
      6   0.372186D+01  0.265271D+01  0.518287D+01  0.982885D+01  0.101598D+02
               171           172           173           174           175 
      1  -0.389642D+01 -0.618464D+00  0.108009D+00  0.482583D+00 -0.335638D+00
      2  -0.635045D+01  0.315871D+01  0.428904D+01 -0.266976D+01  0.460173D+01
      3   0.102469D+02 -0.254025D+01 -0.439705D+01  0.218717D+01 -0.426610D+01
      4   0.990950D+01  0.445412D+01  0.843944D+01 -0.115380D+01  0.781815D+01
      5   0.148783D+02  0.473644D+00  0.364372D+00  0.369360D+01  0.364663D+00
      6   0.141477D+02  0.466419D+00 -0.143365D+01  0.167375D+01 -0.143408D+01
               176           177           178           179           180 
      1  -0.138869D+02  0.391489D+01  0.369908D+00  0.931441D+01 -0.377346D+01
      2   0.348083D+02 -0.132756D+02 -0.385879D+01 -0.237581D+02  0.982433D+01
      3  -0.209214D+02  0.936068D+01  0.348888D+01  0.144437D+02 -0.605087D+01
      4   0.946728D+01 -0.394201D+01 -0.434946D+01 -0.783971D+01  0.372356D+01
      5  -0.230992D+01  0.174936D+01  0.233902D+01  0.229551D+01 -0.275323D+01
      6  -0.614281D+01  0.953464D+01  0.130377D+01  0.850063D+01 -0.119434D+02
               181           182           183           184           185 
      1  -0.306433D+01  0.956625D+01  0.911688D+01  0.453657D+01 -0.832042D+01
      2   0.452908D+00 -0.103307D+02 -0.211232D+01 -0.505423D+01  0.103933D+02
      3   0.261142D+01  0.764450D+00 -0.700456D+01  0.517661D+00 -0.207287D+01
      4  -0.135752D+02  0.893321D+01  0.984187D+01  0.656225D+01 -0.648737D+01
      5  -0.941273D+01  0.558805D+01  0.880324D+01  0.292373D+01 -0.443355D+01
      6   0.114032D+02 -0.132409D+02 -0.136490D+02 -0.677666D+01  0.935095D+01
               186           187           188           189           190 
      1  -0.597186D+01  0.569888D+01 -0.852995D+01 -0.117914D+02  0.472772D+01
      2   0.354217D+01 -0.140722D+01  0.443987D+01  0.877169D+00 -0.436352D+01
      3   0.242969D+01 -0.429167D+01  0.409008D+01  0.109143D+02 -0.364199D+00
      4  -0.498192D+01  0.903293D+01 -0.544735D+01 -0.600297D+01  0.336411D+01
      5  -0.249046D+01  0.815562D+01 -0.301131D+01 -0.573164D+01 -0.500247D+01
      6   0.104645D+02 -0.788175D+01  0.144554D+02  0.171237D+02 -0.121066D+01
               191           192           193           194           195 
      1   0.478077D+01 -0.424896D+01  0.106048D+02 -0.117699D+01 -0.108900D+01
      2  -0.326796D+01  0.456229D+01 -0.714326D+01  0.169421D+01  0.277693D+01
      3  -0.151281D+01 -0.313330D+00 -0.346156D+01 -0.517216D+00 -0.168793D+01
      4   0.300955D+01 -0.208928D+01  0.339080D+01  0.338639D+01 -0.582678D+01
      5  -0.322549D+01  0.105361D+02 -0.440534D+01 -0.545447D+01  0.941411D+01
      6  -0.444019D+00 -0.147516D+00 -0.107451D-01 -0.187347D+01  0.212996D+01
               196           197           198           199           200 
      1  -0.105690D+02  0.254718D+00  0.420200D+01  0.674197D+01 -0.478997D+01
      2   0.798198D+01  0.233550D+01 -0.122211D+02 -0.640981D+00  0.504218D-01
      3   0.258701D+01 -0.259022D+01  0.801906D+01 -0.610099D+01  0.473954D+01
      4  -0.699976D+00 -0.772808D+01  0.647414D+01 -0.745548D+01  0.112731D+02
      5   0.148399D+02  0.741455D+01 -0.251056D+02  0.225277D+00  0.244999D+01
      6  -0.103605D+01  0.311104D+01  0.772855D+00  0.120963D+01 -0.126662D+01
               201           202           203           204           205 
      1   0.953827D+00 -0.102894D+02 -0.247398D+01  0.469429D+00  0.137918D+01
      2  -0.757887D+00 -0.145961D+01  0.202110D+02  0.163127D+01 -0.108327D+01
      3  -0.195940D+00  0.117490D+02 -0.177370D+02 -0.210069D+01 -0.295910D+00
      4   0.212573D+01  0.205955D+02 -0.377534D+02 -0.587479D+01  0.289529D+01
      5   0.334030D+01  0.404890D+01 -0.533705D+01 -0.585754D+01  0.543882D+01
      6  -0.103810D+01 -0.251263D+01  0.713156D+01  0.641416D+01 -0.217755D+01
               206           207           208           209           210 
      1  -0.154387D+00  0.787259D+00  0.499084D+02  0.608037D+01  0.160443D+02
      2   0.173648D+01  0.290467D+00 -0.270747D+02 -0.365474D+01 -0.950049D+01
      3  -0.158209D+01 -0.107773D+01 -0.228337D+02 -0.242563D+01 -0.654379D+01
      4  -0.521244D+01 -0.382757D+01  0.269861D+01  0.801801D+01  0.102881D+01
      5  -0.400512D+01 -0.352358D+01  0.187455D+02  0.214467D+01  0.140781D+02
      6   0.580589D+01  0.228377D+01 -0.180055D+01  0.552725D+00 -0.144187D+01
               211           212           213           214           215 
      1   0.146558D+02  0.559442D+01  0.366894D+01  0.291157D+02  0.234050D+01
      2  -0.841144D+01 -0.133909D+01 -0.202136D+01 -0.169556D+02 -0.140256D+01
      3  -0.624436D+01 -0.425533D+01 -0.164757D+01 -0.121601D+02 -0.937941D+00
      4   0.970561D+01  0.210466D+01  0.298918D+01  0.871987D+00  0.545618D+01
      5   0.545985D+01  0.293877D+01  0.584157D+01  0.194994D+02  0.331937D+01
      6   0.987494D+00  0.144401D+01  0.161103D+01 -0.120820D+01  0.175039D+01
               216           217           218           219           220 
      1   0.120049D+02 -0.498818D+01 -0.408757D+01  0.111247D+02 -0.102381D+01
      2  -0.104410D+02 -0.441382D+01  0.107976D+01  0.382953D+01 -0.675634D+00
      3  -0.156396D+01  0.940200D+01  0.300780D+01 -0.149543D+02  0.169944D+01
      4   0.245600D+01  0.924025D+01  0.236667D+01 -0.503875D+01  0.249226D+01
      5   0.150785D+02 -0.159678D+02  0.700665D-01  0.100338D+02  0.842171D+00
      6  -0.113932D+01 -0.318715D+01 -0.737946D+01  0.870473D+01 -0.397863D+01
               221           222           223           224           225 
      1  -0.209196D+01  0.411261D+00  0.681664D+01  0.125465D+01 -0.846312D+01
      2   0.357857D+01 -0.220848D+01  0.212954D+01 -0.750528D+00 -0.742676D+01
      3  -0.148661D+01  0.179722D+01 -0.894618D+01 -0.504123D+00  0.158899D+02
      4  -0.378401D+00 -0.909873D+00 -0.465479D+01 -0.135583D+01  0.357259D+01
      5  -0.278766D+01  0.246269D+01  0.106401D+02  0.147085D+01 -0.587191D+01
      6  -0.828811D+00  0.212107D+01  0.402244D+01  0.327472D+01 -0.528514D+01
               226           227           228           229           230 
      1   0.807591D+01  0.182829D+01  0.110910D+01  0.292466D+01 -0.424053D+00
      2  -0.166023D+02 -0.322364D+01 -0.173877D+02 -0.644632D+01 -0.340670D+00
      3   0.852643D+01  0.139535D+01  0.162786D+02  0.352166D+01  0.764723D+00
      4  -0.387516D+01  0.406771D+01 -0.440008D+01  0.232534D+01  0.305908D+00
      5   0.226008D+02  0.795132D+00  0.248536D+02  0.735291D+01  0.456399D+01
      6  -0.209786D+01  0.551529D+01 -0.365465D+01  0.356709D+01  0.163856D+01
               231           232           233           234           235 
      1  -0.154414D+01  0.153912D+01  0.110553D+00 -0.698340D+01 -0.674924D-01
      2  -0.809785D+01 -0.139270D+02 -0.237908D+01 -0.234053D+02  0.184980D+01
      3   0.964199D+01  0.123879D+02  0.226852D+01  0.303887D+02 -0.178231D+01
      4   0.190822D+01 -0.392563D+01  0.209971D+01 -0.279222D+01 -0.481397D+01
      5   0.853117D+01  0.202202D+02  0.145346D+01  0.257525D+02  0.245738D+01
      6   0.373363D+01 -0.218011D+01  0.508687D+01 -0.454118D+01 -0.333719D+01
               236           237           238           239           240 
      1  -0.603699D+00 -0.168656D+00 -0.301876D+00 -0.178622D+02  0.522393D+01
      2  -0.426952D+01 -0.142988D+01 -0.534938D+01  0.384360D+02 -0.172293D+01
      3   0.487322D+01  0.159854D+01  0.565126D+01 -0.205739D+02 -0.350101D+01
      4   0.897636D+01 -0.180972D+01  0.100815D+02 -0.193140D+02  0.294345D+01
      5  -0.329905D+01  0.467244D+01 -0.438167D+01  0.565407D+01 -0.311080D+01
      6   0.449499D+01 -0.156952D+01  0.523168D+01 -0.258388D+02  0.103822D+02
               241           242           243 
      1  -0.409722D+00  0.250355D+00 -0.118482D+01
      2  -0.176778D+01  0.403540D+01  0.153582D+01
      3   0.217750D+01 -0.428575D+01 -0.350993D+00
      4   0.842483D+00 -0.201187D+01 -0.135926D+01
      5   0.253639D+01 -0.526640D+00  0.886259D+00
      6  -0.515948D+00  0.363237D+01 -0.330538D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sat Jul 10 00:12:24 2021, MaxMem= 17179869184 cpu:           34260.3 elap:            2862.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.25950 -10.37993 -10.31452 -10.30815 -10.30522
 Alpha  occ. eigenvalues --  -10.30075 -10.29846 -10.29700 -10.28942 -10.28918
 Alpha  occ. eigenvalues --  -10.28434  -1.14956  -0.99583  -0.87520  -0.86861
 Alpha  occ. eigenvalues --   -0.84161  -0.78555  -0.76833  -0.74050  -0.68298
 Alpha  occ. eigenvalues --   -0.63607  -0.59482  -0.57956  -0.57753  -0.56024
 Alpha  occ. eigenvalues --   -0.53699  -0.51296  -0.50204  -0.49466  -0.48777
 Alpha  occ. eigenvalues --   -0.48303  -0.47290  -0.46759  -0.45954  -0.44562
 Alpha  occ. eigenvalues --   -0.43061  -0.42734  -0.41678  -0.40455  -0.39501
 Alpha  occ. eigenvalues --   -0.37794  -0.31789
 Alpha virt. eigenvalues --    0.03292   0.04077   0.04264   0.04671   0.05095
 Alpha virt. eigenvalues --    0.06080   0.06239   0.06387   0.06931   0.06988
 Alpha virt. eigenvalues --    0.08302   0.08528   0.08991   0.09321   0.09473
 Alpha virt. eigenvalues --    0.09639   0.10494   0.12017   0.12144   0.12688
 Alpha virt. eigenvalues --    0.13364   0.13654   0.14065   0.14555   0.14925
 Alpha virt. eigenvalues --    0.15258   0.15756   0.15859   0.16273   0.16432
 Alpha virt. eigenvalues --    0.16521   0.16720   0.17363   0.17468   0.18329
 Alpha virt. eigenvalues --    0.18458   0.18809   0.19299   0.20139   0.20477
 Alpha virt. eigenvalues --    0.20804   0.21277   0.21589   0.21940   0.22263
 Alpha virt. eigenvalues --    0.22880   0.23125   0.23876   0.23972   0.24376
 Alpha virt. eigenvalues --    0.24972   0.25354   0.25808   0.25960   0.26897
 Alpha virt. eigenvalues --    0.27899   0.28143   0.28457   0.28619   0.28905
 Alpha virt. eigenvalues --    0.29640   0.30635   0.30892   0.31197   0.32063
 Alpha virt. eigenvalues --    0.32624   0.32790   0.33640   0.34487   0.35390
 Alpha virt. eigenvalues --    0.35644   0.35888   0.36324   0.36715   0.37037
 Alpha virt. eigenvalues --    0.37560   0.38497   0.38690   0.39353   0.39981
 Alpha virt. eigenvalues --    0.40547   0.40907   0.41316   0.41548   0.42642
 Alpha virt. eigenvalues --    0.43010   0.43972   0.44515   0.45031   0.45159
 Alpha virt. eigenvalues --    0.45677   0.46350   0.46919   0.47532   0.47570
 Alpha virt. eigenvalues --    0.47861   0.48163   0.48684   0.48931   0.50109
 Alpha virt. eigenvalues --    0.50777   0.51540   0.51749   0.52463   0.53207
 Alpha virt. eigenvalues --    0.54019   0.54557   0.55833   0.56242   0.56580
 Alpha virt. eigenvalues --    0.57166   0.57969   0.59142   0.59552   0.59887
 Alpha virt. eigenvalues --    0.60265   0.61114   0.61210   0.61941   0.63201
 Alpha virt. eigenvalues --    0.63397   0.64241   0.64609   0.64851   0.65796
 Alpha virt. eigenvalues --    0.66152   0.66313   0.66547   0.67346   0.67515
 Alpha virt. eigenvalues --    0.68001   0.68955   0.69379   0.69965   0.70378
 Alpha virt. eigenvalues --    0.71108   0.71488   0.72443   0.73078   0.73560
 Alpha virt. eigenvalues --    0.73943   0.74897   0.75042   0.75678   0.76133
 Alpha virt. eigenvalues --    0.76372   0.77449   0.77972   0.78848   0.79315
 Alpha virt. eigenvalues --    0.79845   0.80180   0.80734   0.81479   0.81875
 Alpha virt. eigenvalues --    0.82643   0.83288   0.83713   0.84535   0.84808
 Alpha virt. eigenvalues --    0.85989   0.86184   0.87373   0.87694   0.88616
 Alpha virt. eigenvalues --    0.88887   0.89525   0.89958   0.90784   0.91376
 Alpha virt. eigenvalues --    0.92524   0.93235   0.93852   0.93991   0.94740
 Alpha virt. eigenvalues --    0.97021   0.97478   0.98358   0.99520   0.99858
 Alpha virt. eigenvalues --    1.00276   1.01759   1.02120   1.03345   1.04469
 Alpha virt. eigenvalues --    1.05109   1.08353   1.09243   1.10031   1.10442
 Alpha virt. eigenvalues --    1.12337   1.12911   1.13294   1.15775   1.16550
 Alpha virt. eigenvalues --    1.17856   1.20120   1.20719   1.21813   1.23249
 Alpha virt. eigenvalues --    1.23921   1.25920   1.26121   1.26546   1.27920
 Alpha virt. eigenvalues --    1.30203   1.30708   1.31048   1.32218   1.33301
 Alpha virt. eigenvalues --    1.33807   1.36721   1.38211   1.39603   1.40965
 Alpha virt. eigenvalues --    1.41849   1.43197   1.45156   1.48026   1.49517
 Alpha virt. eigenvalues --    1.49919   1.51843   1.52888   1.55477   1.55872
 Alpha virt. eigenvalues --    1.57636   1.58793   1.59291   1.60062   1.61327
 Alpha virt. eigenvalues --    1.62910   1.64765   1.65388   1.66611   1.67197
 Alpha virt. eigenvalues --    1.67266   1.68955   1.69793   1.70706   1.72838
 Alpha virt. eigenvalues --    1.74193   1.74590   1.76950   1.77559   1.79476
 Alpha virt. eigenvalues --    1.80718   1.81554   1.83064   1.83502   1.84373
 Alpha virt. eigenvalues --    1.85651   1.87415   1.88105   1.89230   1.90667
 Alpha virt. eigenvalues --    1.91005   1.92230   1.92757   1.94821   1.95165
 Alpha virt. eigenvalues --    1.95695   1.96370   1.97301   1.98767   1.99318
 Alpha virt. eigenvalues --    2.00473   2.01206   2.03732   2.04119   2.04982
 Alpha virt. eigenvalues --    2.06069   2.07159   2.09017   2.10623   2.11075
 Alpha virt. eigenvalues --    2.13007   2.13674   2.14555   2.15666   2.16968
 Alpha virt. eigenvalues --    2.18476   2.19120   2.19834   2.20840   2.22442
 Alpha virt. eigenvalues --    2.23202   2.24335   2.26208   2.29220   2.29806
 Alpha virt. eigenvalues --    2.30179   2.31584   2.32833   2.33443   2.35704
 Alpha virt. eigenvalues --    2.36758   2.38352   2.39760   2.40995   2.42704
 Alpha virt. eigenvalues --    2.43994   2.45614   2.46375   2.47747   2.47866
 Alpha virt. eigenvalues --    2.48966   2.51463   2.52838   2.54007   2.55319
 Alpha virt. eigenvalues --    2.56882   2.57363   2.59318   2.60129   2.62121
 Alpha virt. eigenvalues --    2.62612   2.64973   2.65630   2.67343   2.67924
 Alpha virt. eigenvalues --    2.69409   2.71303   2.71896   2.74365   2.75269
 Alpha virt. eigenvalues --    2.77335   2.78984   2.79800   2.83870   2.85212
 Alpha virt. eigenvalues --    2.87189   2.88403   2.93596   2.93808   2.94962
 Alpha virt. eigenvalues --    2.98998   3.00557   3.07431   3.09360   3.14178
 Alpha virt. eigenvalues --    3.18578   3.23205   3.30249   3.37601   3.44415
 Alpha virt. eigenvalues --    3.48986   3.56985   3.58699   3.60514   3.66499
 Alpha virt. eigenvalues --    3.79382   3.96994   4.23185   4.56141   5.32609
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   16.650338  -2.802118  -0.123213   0.170985  -2.311768   0.138894
     2  C   -2.802118  14.358037  -1.535149   1.278928  -2.353333  -2.636228
     3  C   -0.123213  -1.535149   8.164752  -1.753101   0.851302   0.486397
     4  C    0.170985   1.278928  -1.753101   7.496886  -1.745467  -0.485018
     5  C   -2.311768  -2.353333   0.851302  -1.745467  14.152370   0.344363
     6  C    0.138894  -2.636228   0.486397  -0.485018   0.344363   9.006660
     7  C   -0.162082   1.435812  -0.295488   0.228623  -1.478510  -0.949345
     8  C   -0.226282  -0.500087  -0.590178   0.204103   0.392400  -0.663922
     9  O    0.039916   0.039481  -0.041049   0.064876  -0.089142  -0.094260
    10  C   -1.482316  -0.297520  -0.123143   0.010565  -0.204824   0.127298
    11  C   -1.344878   0.041315  -0.012846  -0.110942  -0.309859   0.052330
    12  H    0.111530   0.343158  -0.565721   0.240313  -0.223752   0.100023
    13  H   -0.047022  -0.094043  -0.542595   0.197752   0.011198  -0.038640
    14  H    0.199625  -0.239200   0.467701  -0.563846  -0.400842   0.174908
    15  H   -0.152937  -0.198821   0.345181  -0.499947   0.582318  -0.070423
    16  H   -0.287905   0.123803   0.000654  -0.089012   0.618411  -0.011573
    17  H    0.375726  -0.321809   0.032850   0.112851  -0.597671   0.287654
    18  H   -0.093300   0.222013   0.060139   0.285866  -2.398876   0.010470
    19  H   -0.039553   0.051203   0.137219   0.032140  -0.063189   0.222927
    20  H   -0.128374   0.209051  -0.049127  -0.053863   0.074988  -0.014035
    21  H    0.079122  -0.153219  -0.013976   0.015977   0.080041  -0.239329
    22  H    0.519734  -0.287426   0.012010  -0.160079  -0.112228   0.058406
    23  H   -0.187008  -0.190990   0.174662  -0.081475   0.095972   0.044091
    24  H   -0.138044   0.313965  -0.106027   0.148806  -0.107943  -0.070158
    25  H    0.729704  -0.354852   0.004892   0.049490  -0.104511  -0.116467
    26  H   -0.095173   0.162379  -0.091158   0.074073  -0.267437  -0.058383
    27  H   -0.197929   0.023868   0.099763  -0.086286   0.136233   0.206116
               7          8          9         10         11         12
     1  C   -0.162082  -0.226282   0.039916  -1.482316  -1.344878   0.111530
     2  C    1.435812  -0.500087   0.039481  -0.297520   0.041315   0.343158
     3  C   -0.295488  -0.590178  -0.041049  -0.123143  -0.012846  -0.565721
     4  C    0.228623   0.204103   0.064876   0.010565  -0.110942   0.240313
     5  C   -1.478510   0.392400  -0.089142  -0.204824  -0.309859  -0.223752
     6  C   -0.949345  -0.663922  -0.094260   0.127298   0.052330   0.100023
     7  C    7.037509  -0.027125  -0.078795  -0.157383  -0.119031   0.039527
     8  C   -0.027125   6.430580   0.040105  -0.092691  -0.105989  -0.180531
     9  O   -0.078795   0.040105   8.681699   0.022589  -0.029331  -0.005481
    10  C   -0.157383  -0.092691   0.022589   6.328701  -0.307961  -0.016926
    11  C   -0.119031  -0.105989  -0.029331  -0.307961   6.212930   0.032790
    12  H    0.039527  -0.180531  -0.005481  -0.016926   0.032790   3.036699
    13  H   -0.084064   0.072480   0.026636   0.071639   0.003157  -1.053443
    14  H    0.047030  -0.053098  -0.005880   0.086350  -0.026483   0.246653
    15  H   -0.009177   0.038206   0.003384  -0.125546   0.048190  -0.555726
    16  H   -0.286570   0.058674   0.029960   0.038240  -0.099062  -0.004410
    17  H   -0.214670  -0.040435   0.028887  -0.012525   0.065493   0.005537
    18  H    0.266060  -0.054113  -0.002351   0.072891   0.102266   0.017272
    19  H    0.013391  -0.079908  -0.030776   0.002081   0.026799   0.011913
    20  H   -0.009741   0.017220   0.021643   0.009026  -0.015974  -0.005513
    21  H   -0.015129   0.193024   0.017354   0.024015  -0.011615  -0.088109
    22  H    0.004999   0.063797  -0.006334  -0.117792   0.128996  -0.002785
    23  H   -0.058357  -0.149550   0.004117   0.291826   0.040619  -0.025068
    24  H    0.076752   0.005301   0.002971   0.059497  -0.183123   0.007873
    25  H   -0.104479   0.053552   0.055607   0.080809  -0.087472   0.001159
    26  H    0.208676   0.014383   0.001016  -0.014535  -0.000815  -0.010465
    27  H   -0.132139  -0.170222  -0.022541  -0.010163   0.240208   0.013310
              13         14         15         16         17         18
     1  C   -0.047022   0.199625  -0.152937  -0.287905   0.375726  -0.093300
     2  C   -0.094043  -0.239200  -0.198821   0.123803  -0.321809   0.222013
     3  C   -0.542595   0.467701   0.345181   0.000654   0.032850   0.060139
     4  C    0.197752  -0.563846  -0.499947  -0.089012   0.112851   0.285866
     5  C    0.011198  -0.400842   0.582318   0.618411  -0.597671  -2.398876
     6  C   -0.038640   0.174908  -0.070423  -0.011573   0.287654   0.010470
     7  C   -0.084064   0.047030  -0.009177  -0.286570  -0.214670   0.266060
     8  C    0.072480  -0.053098   0.038206   0.058674  -0.040435  -0.054113
     9  O    0.026636  -0.005880   0.003384   0.029960   0.028887  -0.002351
    10  C    0.071639   0.086350  -0.125546   0.038240  -0.012525   0.072891
    11  C    0.003157  -0.026483   0.048190  -0.099062   0.065493   0.102266
    12  H   -1.053443   0.246653  -0.555726  -0.004410   0.005537   0.017272
    13  H    2.987349  -0.352278   0.262539   0.010531  -0.011375  -0.005391
    14  H   -0.352278   2.792154  -0.999574   0.037157  -0.060085   0.074629
    15  H    0.262539  -0.999574   2.857966  -0.021812   0.056194  -0.139842
    16  H    0.010531   0.037157  -0.021812   2.075326  -0.698288  -0.119238
    17  H   -0.011375  -0.060085   0.056194  -0.698288   2.259428   0.053440
    18  H   -0.005391   0.074629  -0.139842  -0.119238   0.053440   3.389804
    19  H   -0.029824   0.002559  -0.003556  -0.001247  -0.003004   0.001412
    20  H    0.004322  -0.000424  -0.003454   0.004311  -0.003246  -0.000894
    21  H    0.057689  -0.008978   0.016438  -0.000471   0.002063  -0.006030
    22  H    0.017477   0.015947  -0.022819   0.009303  -0.004303  -0.005303
    23  H    0.018278  -0.011109   0.023779  -0.010946   0.004580   0.020311
    24  H   -0.007088   0.020912  -0.017894   0.011463  -0.002953   0.028631
    25  H    0.002288  -0.002751   0.008982  -0.070581   0.026412   0.005696
    26  H    0.004270  -0.004817   0.014179  -0.019069   0.024026   0.023137
    27  H   -0.001149   0.004241  -0.013345   0.026111  -0.012941   0.015025
              19         20         21         22         23         24
     1  C   -0.039553  -0.128374   0.079122   0.519734  -0.187008  -0.138044
     2  C    0.051203   0.209051  -0.153219  -0.287426  -0.190990   0.313965
     3  C    0.137219  -0.049127  -0.013976   0.012010   0.174662  -0.106027
     4  C    0.032140  -0.053863   0.015977  -0.160079  -0.081475   0.148806
     5  C   -0.063189   0.074988   0.080041  -0.112228   0.095972  -0.107943
     6  C    0.222927  -0.014035  -0.239329   0.058406   0.044091  -0.070158
     7  C    0.013391  -0.009741  -0.015129   0.004999  -0.058357   0.076752
     8  C   -0.079908   0.017220   0.193024   0.063797  -0.149550   0.005301
     9  O   -0.030776   0.021643   0.017354  -0.006334   0.004117   0.002971
    10  C    0.002081   0.009026   0.024015  -0.117792   0.291826   0.059497
    11  C    0.026799  -0.015974  -0.011615   0.128996   0.040619  -0.183123
    12  H    0.011913  -0.005513  -0.088109  -0.002785  -0.025068   0.007873
    13  H   -0.029824   0.004322   0.057689   0.017477   0.018278  -0.007088
    14  H    0.002559  -0.000424  -0.008978   0.015947  -0.011109   0.020912
    15  H   -0.003556  -0.003454   0.016438  -0.022819   0.023779  -0.017894
    16  H   -0.001247   0.004311  -0.000471   0.009303  -0.010946   0.011463
    17  H   -0.003004  -0.003246   0.002063  -0.004303   0.004580  -0.002953
    18  H    0.001412  -0.000894  -0.006030  -0.005303   0.020311   0.028631
    19  H    1.615911  -0.362781  -0.447132   0.005835   0.006933  -0.007168
    20  H   -0.362781   1.722121  -0.399760   0.024436  -0.020295  -0.002050
    21  H   -0.447132  -0.399760   1.996164  -0.045454   0.039122   0.023263
    22  H    0.005835   0.024436  -0.045454   2.265764  -0.570569  -0.491385
    23  H    0.006933  -0.020295   0.039122  -0.570569   2.183623  -0.462422
    24  H   -0.007168  -0.002050   0.023263  -0.491385  -0.462422   2.046641
    25  H    0.012082  -0.063247   0.024493  -0.043716   0.052420   0.001060
    26  H   -0.007236   0.023675   0.005177   0.028762   0.006793  -0.010851
    27  H    0.004142   0.038448  -0.031448   0.040318  -0.070366   0.018507
              25         26         27
     1  C    0.729704  -0.095173  -0.197929
     2  C   -0.354852   0.162379   0.023868
     3  C    0.004892  -0.091158   0.099763
     4  C    0.049490   0.074073  -0.086286
     5  C   -0.104511  -0.267437   0.136233
     6  C   -0.116467  -0.058383   0.206116
     7  C   -0.104479   0.208676  -0.132139
     8  C    0.053552   0.014383  -0.170222
     9  O    0.055607   0.001016  -0.022541
    10  C    0.080809  -0.014535  -0.010163
    11  C   -0.087472  -0.000815   0.240208
    12  H    0.001159  -0.010465   0.013310
    13  H    0.002288   0.004270  -0.001149
    14  H   -0.002751  -0.004817   0.004241
    15  H    0.008982   0.014179  -0.013345
    16  H   -0.070581  -0.019069   0.026111
    17  H    0.026412   0.024026  -0.012941
    18  H    0.005696   0.023137   0.015025
    19  H    0.012082  -0.007236   0.004142
    20  H   -0.063247   0.023675   0.038448
    21  H    0.024493   0.005177  -0.031448
    22  H   -0.043716   0.028762   0.040318
    23  H    0.052420   0.006793  -0.070366
    24  H    0.001060  -0.010851   0.018507
    25  H    2.150534  -0.515472  -0.541649
    26  H   -0.515472   2.177979  -0.478704
    27  H   -0.541649  -0.478704   2.100301
 Mulliken charges:
               1
     1  C   -3.195671
     2  C   -0.638218
     3  C    1.005249
     4  C    1.016801
     5  C    1.429755
     6  C    0.187246
     7  C    0.823704
     8  C    1.350307
     9  O   -0.674303
    10  C    1.737798
    11  C    1.770291
    12  H   -0.469827
    13  H   -0.480694
    14  H   -0.440500
    15  H   -0.422484
    16  H   -0.323762
    17  H   -0.351838
    18  H   -0.823723
    19  H   -0.071175
    20  H   -0.016461
    21  H   -0.113291
    22  H   -0.325591
    23  H   -0.168969
    24  H   -0.158539
    25  H   -0.253983
    26  H   -0.194411
    27  H   -0.197707
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -3.195671
     2  C   -0.638218
     3  C    0.054727
     4  C    0.153817
     5  C    0.606033
     6  C    0.187246
     7  C    0.148104
     8  C    1.149379
     9  O   -0.674303
    10  C    1.084698
    11  C    1.124189
 Electronic spatial extent (au):  <R**2>=           1474.9194
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.1450    Y=              0.9411    Z=             -0.1494  Tot=              3.2862
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -78.5826   YY=            -67.0391   ZZ=            -66.5910
   XY=             -2.4030   XZ=              1.1796   YZ=              0.3890
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.8450   YY=              3.6984   ZZ=              4.1465
   XY=             -2.4030   XZ=              1.1796   YZ=              0.3890
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             25.5066  YYY=              0.1779  ZZZ=              2.5367  XYY=             -4.1014
  XXY=              6.7069  XXZ=             -3.9473  XZZ=             -2.9506  YZZ=              0.7485
  YYZ=              0.8289  XYZ=              0.1032
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -890.5361 YYYY=           -646.5079 ZZZZ=           -554.2349 XXXY=             -6.5001
 XXXZ=             15.6213 YYYX=             -6.2256 YYYZ=             -1.5990 ZZZX=             -4.8862
 ZZZY=              4.3907 XXYY=           -238.3048 XXZZ=           -217.6619 YYZZ=           -204.6287
 XXYZ=              1.8896 YYXZ=             -1.1968 ZZXY=              2.3993
 N-N= 6.881699629962D+02 E-N=-2.457836937747D+03  KE= 4.629156378482D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sat Jul 10 00:12:25 2021, MaxMem= 17179869184 cpu:               3.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.19406424D+00 3.61083692D-01-5.72722282D-02
 Polarizability= 1.14673425D+02 7.41876557D-01 1.11152414D+02
                -7.58282032D-02 1.27064056D+00 1.07423950D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.1240    0.1192        0.5175    0.5164
 2     -0.1240   -0.1192       -0.7270   -0.7245       -2.2829   -2.2792
 3     -0.5175   -0.5164        4.1762    4.1723        0.7262    0.7245
 4      0.7270    0.7245        0.0000    0.0000       -0.5166   -0.5164
 5     -1.8933   -1.8931        0.5166    0.5164        0.1196    0.1192
 6     -0.7262   -0.7245       -0.1196   -0.1192       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.3577   -0.3577        1.5492    1.5492
 2      2.1735    2.1735       -0.0000    0.0000        1.5492    1.5492
 3      2.1735    2.1735       -0.3577   -0.3577        0.0000    0.0000
 4     -0.3577   -0.3577       -2.1735   -2.1735       -6.8375   -6.8375
 5     -1.5492   -1.5492       12.5169   12.5169        2.1735    2.1735
 6     -5.6794   -5.6794        1.5492    1.5492        0.3577    0.3577
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.3289    0.0000       -0.5383   -0.4769       -1.9026   -2.0656
 2      0.3248    0.4769        2.5350    2.8980        9.4428    9.1167
 3      2.1088    2.0656      -16.7494  -16.6892       -3.0104   -2.8980
 4     -2.7566   -2.8980       -0.0792    0.0000        2.2833    2.0656
 5      7.5061    7.5725       -2.3092   -2.0656       -0.3909   -0.4769
 6      2.7948    2.8980        0.3772    0.4769        0.0977    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.9503    0.0000        7.2782    6.8102        3.3937    2.8679
 2     -7.1720   -6.8102        3.6939    4.0494        6.8698    8.1492
 3     -1.8165   -2.8679       11.3556   10.4468       -3.5153   -4.0494
 4     -4.8688   -4.0494       -0.6384    0.0000       -3.5581   -2.8679
 5    -19.4515  -18.5960        1.7004    2.8679        5.6518    6.8102
 6      4.4783    4.0494       -6.3047   -6.8102        0.1330    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -6.1150   -6.7777       14.0523   13.0585       23.0171   22.6028
 2     -9.4313   -9.5802       21.1217   20.5383       22.7793   22.6028
 3     -9.6021   -9.5802       13.2979   13.0585       19.0797   19.3620
 4     -8.0488   -7.4799        2.5012    2.8026       10.9622   12.2913
 5     -1.9462   -3.2408       14.3233   14.0166       -2.2333   -2.8026
 6    -26.9916  -26.3079        1.7519    3.2408        6.2907    7.4799
 Full mass-weighted force constant matrix:
 Low frequencies ---  -15.6774   -6.3789   -0.0009   -0.0004   -0.0003    2.5755
 Low frequencies ---  107.8644  168.8419  183.4749
 Diagonal vibrational polarizability:
        4.4992302       6.3154133       7.5207719
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    107.8534               168.8412               183.4743
 Red. masses --      4.5339                 1.1763                 1.1199
 Frc consts  --      0.0311                 0.0198                 0.0222
 IR Inten    --      3.8144                 0.1064                 0.0775
 RamAct Fr= 1--      0.6825                 0.1783                 0.0611
  Dep-P Fr= 1--      0.7499                 0.6680                 0.7449
  Dep-U Fr= 1--      0.8571                 0.8010                 0.8538
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0000
 Beta2  Fr= 1--      0.0975                 0.0238                 0.0087
 AlphaG Fr= 1--      0.0001                -0.0015                 0.0005
 Gamma2 Fr= 1--      0.1489                -0.0970                 0.0788
 Delta2 Fr= 1--     -0.0256                 0.0009                 0.0097
 Raman1 Fr= 1--       2.730                  0.713                  0.244
 ROA1   Fr= 1--      13.476                 -9.288                  7.874
 CID1   Fr= 1--       4.936                -13.026                 32.218
 Raman2 Fr= 1--       1.170                  0.286                  0.104
 ROA2   Fr= 1--       3.778                 -2.336                  1.813
 CID2   Fr= 1--       3.229                 -8.182                 17.380
 Raman3 Fr= 1--       2.340                  0.571                  0.209
 ROA3   Fr= 1--      13.476                 -9.288                  7.874
 CID3   Fr= 1--       5.759                -16.263                 37.736
 RC180  Fr= 1--       0.714                  0.602                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.00     0.00  -0.01   0.01    -0.00  -0.00   0.01
     2   6    -0.01   0.05  -0.06    -0.01  -0.01   0.02     0.00  -0.00   0.00
     3   6     0.03   0.08  -0.03    -0.03   0.02   0.03    -0.03   0.02   0.02
     4   6     0.13   0.02  -0.02     0.04  -0.02   0.02     0.02   0.00   0.01
     5   6     0.01   0.03  -0.03    -0.01  -0.01   0.02     0.00  -0.00   0.00
     6   6     0.01  -0.03   0.02    -0.02  -0.01  -0.00    -0.00  -0.01  -0.00
     7   6    -0.03   0.09  -0.12    -0.02   0.00  -0.01    -0.00  -0.00  -0.01
     8   6     0.01   0.08  -0.13     0.02  -0.00  -0.01     0.03   0.00  -0.03
     9   8     0.09  -0.25   0.28    -0.03   0.02  -0.05    -0.01   0.00  -0.02
    10   6    -0.04  -0.07   0.06    -0.01   0.01  -0.03    -0.02  -0.05  -0.01
    11   6    -0.15   0.04   0.01     0.05   0.00   0.02     0.00   0.04   0.03
    12   1    -0.03   0.06  -0.07    -0.10   0.02  -0.03    -0.07   0.03  -0.02
    13   1     0.02   0.16   0.02    -0.06   0.05   0.10    -0.05   0.05   0.06
    14   1     0.25   0.09  -0.06     0.10   0.02   0.00     0.06   0.03   0.01
    15   1     0.17  -0.11   0.02     0.06  -0.10   0.03     0.03  -0.05   0.01
    16   1    -0.12   0.25  -0.10    -0.05   0.03  -0.01    -0.01   0.02  -0.01
    17   1    -0.00   0.06  -0.30    -0.01   0.00  -0.05    -0.00  -0.01  -0.03
    18   1    -0.02  -0.00   0.02    -0.02  -0.02   0.04    -0.00  -0.01   0.01
    19   1     0.06   0.12  -0.22     0.09   0.01  -0.10    -0.27  -0.11   0.42
    20   1    -0.09   0.05  -0.18    -0.08  -0.00  -0.02     0.58  -0.12  -0.03
    21   1     0.06   0.08  -0.07     0.08  -0.02   0.08    -0.20   0.24  -0.47
    22   1    -0.02  -0.20  -0.01    -0.20  -0.32  -0.23    -0.04  -0.10  -0.04
    23   1    -0.04  -0.10   0.20     0.16  -0.03   0.35    -0.04  -0.06   0.05
    24   1    -0.04   0.01   0.03     0.01   0.39  -0.23     0.01  -0.02  -0.05
    25   1    -0.13   0.20   0.03     0.16   0.25   0.22     0.00   0.05   0.03
    26   1    -0.08  -0.07  -0.01     0.29  -0.19  -0.13    -0.00   0.08   0.02
    27   1    -0.32   0.00   0.01    -0.25  -0.05  -0.04     0.02   0.03   0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    217.3103               224.8310               241.8621
 Red. masses --      1.9044                 1.1543                 2.5418
 Frc consts  --      0.0530                 0.0344                 0.0876
 IR Inten    --      0.2196                 0.3175                 0.7529
 RamAct Fr= 1--      0.3071                 0.1656                 0.7520
  Dep-P Fr= 1--      0.7497                 0.7499                 0.5923
  Dep-U Fr= 1--      0.8569                 0.8571                 0.7440
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0022
 Beta2  Fr= 1--      0.0439                 0.0237                 0.0932
 AlphaG Fr= 1--     -0.0000                 0.0001                 0.0008
 Gamma2 Fr= 1--      0.0859                -0.0419                 0.1952
 Delta2 Fr= 1--     -0.0184                -0.0045                 0.1009
 Raman1 Fr= 1--       1.228                  0.662                  3.008
 ROA1   Fr= 1--       7.659                 -4.166                 21.970
 CID1   Fr= 1--       6.235                 -6.289                  7.304
 Raman2 Fr= 1--       0.526                  0.284                  1.119
 ROA2   Fr= 1--       2.209                 -0.969                  3.878
 CID2   Fr= 1--       4.197                 -3.413                  3.466
 Raman3 Fr= 1--       1.053                  0.568                  2.238
 ROA3   Fr= 1--       7.659                 -4.166                 21.970
 CID3   Fr= 1--       7.276                 -7.337                  9.817
 RC180  Fr= 1--       0.714                  0.714                  0.488
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.01    -0.00  -0.02  -0.01    -0.01   0.01  -0.01
     2   6     0.01   0.00  -0.02    -0.00  -0.01  -0.01     0.00   0.01   0.01
     3   6     0.05  -0.04  -0.04    -0.05   0.01  -0.00    -0.10   0.02   0.00
     4   6    -0.01  -0.02  -0.02     0.01  -0.02  -0.01    -0.03   0.01  -0.03
     5   6    -0.01  -0.00  -0.01     0.02  -0.02  -0.02     0.02   0.02  -0.02
     6   6     0.01   0.02   0.00     0.01  -0.00   0.01     0.00   0.02   0.03
     7   6     0.01   0.02  -0.00     0.03  -0.02   0.02     0.04   0.03   0.01
     8   6    -0.09  -0.01   0.05     0.01  -0.00  -0.04     0.25  -0.05   0.06
     9   8     0.02   0.01   0.04    -0.00   0.03   0.01    -0.02   0.09   0.04
    10   6     0.08   0.14   0.08     0.02   0.02   0.03    -0.02  -0.03   0.00
    11   6    -0.06  -0.12  -0.09    -0.04   0.01   0.00    -0.14  -0.09  -0.09
    12   1     0.11  -0.06   0.02    -0.10   0.02  -0.06    -0.17   0.05  -0.07
    13   1     0.08  -0.07  -0.11    -0.08   0.03   0.06    -0.15   0.03   0.10
    14   1    -0.06  -0.04  -0.03     0.04   0.01  -0.00    -0.01   0.02  -0.00
    15   1    -0.02   0.03  -0.01     0.01  -0.06  -0.03    -0.05  -0.03  -0.08
    16   1     0.01   0.02  -0.00     0.08  -0.06   0.02     0.06   0.04   0.01
    17   1     0.01   0.02  -0.00     0.02  -0.02   0.07     0.03   0.02   0.01
    18   1     0.01   0.00  -0.03     0.04  -0.03  -0.03     0.04   0.03  -0.05
    19   1    -0.27  -0.03   0.31     0.05   0.01  -0.09     0.31  -0.28  -0.01
    20   1     0.15  -0.01   0.09    -0.04  -0.01  -0.05     0.35  -0.04   0.09
    21   1    -0.25   0.01  -0.19     0.04  -0.00   0.01     0.37   0.08   0.15
    22   1     0.04   0.05   0.03    -0.09  -0.22  -0.12     0.02   0.01   0.03
    23   1     0.29   0.15   0.23     0.20  -0.00   0.33    -0.07  -0.03  -0.05
    24   1    -0.03   0.39   0.09    -0.01   0.35  -0.09    -0.01  -0.11   0.03
    25   1    -0.03  -0.03  -0.05    -0.18  -0.30  -0.25    -0.14  -0.00  -0.10
    26   1     0.03  -0.33  -0.08    -0.35   0.29   0.18    -0.10  -0.30  -0.03
    27   1    -0.23  -0.13  -0.24     0.36   0.07   0.11    -0.30  -0.10  -0.21
                      7                      8                      9
                      A                      A                      A
 Frequencies --    262.3832               290.0213               300.8236
 Red. masses --      2.2777                 1.9455                 2.8745
 Frc consts  --      0.0924                 0.0964                 0.1533
 IR Inten    --      0.6152                 0.3555                 1.8442
 RamAct Fr= 1--      0.8567                 0.3664                 0.7119
  Dep-P Fr= 1--      0.5697                 0.4835                 0.5633
  Dep-U Fr= 1--      0.7258                 0.6519                 0.7207
 Alpha2 Fr= 1--      0.0029                 0.0019                 0.0025
 Beta2  Fr= 1--      0.1036                 0.0398                 0.0855
 AlphaG Fr= 1--      0.0030                 0.0101                -0.0048
 Gamma2 Fr= 1--     -0.2138                 0.1295                 0.1705
 Delta2 Fr= 1--     -0.1398                 0.0707                 0.1149
 Raman1 Fr= 1--       3.427                  1.466                  2.848
 ROA1   Fr= 1--     -24.996                 14.696                 20.044
 CID1   Fr= 1--      -7.295                 10.027                  7.039
 Raman2 Fr= 1--       1.244                  0.478                  1.026
 ROA2   Fr= 1--      -4.013                  2.543                  3.173
 CID2   Fr= 1--      -3.227                  5.324                  3.092
 Raman3 Fr= 1--       2.487                  0.955                  2.052
 ROA3   Fr= 1--     -24.996                 14.696                 20.044
 CID3   Fr= 1--     -10.050                 15.382                  9.767
 RC180  Fr= 1--       0.452                  0.304                  0.441
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.01    -0.01   0.02  -0.02    -0.06  -0.02   0.02
     2   6    -0.01   0.03   0.00     0.02   0.05  -0.04    -0.05  -0.02  -0.00
     3   6     0.03   0.06   0.02     0.11   0.00  -0.05     0.18  -0.10  -0.02
     4   6     0.13   0.01   0.06    -0.10   0.08   0.02     0.03  -0.04   0.02
     5   6    -0.02   0.00   0.05     0.00   0.02   0.01    -0.04  -0.02   0.02
     6   6    -0.02   0.01  -0.04     0.03   0.02  -0.02    -0.08   0.04   0.00
     7   6    -0.06   0.04  -0.06     0.02  -0.04   0.08    -0.04   0.03  -0.02
     8   6    -0.01  -0.04   0.19     0.01   0.01   0.07     0.11  -0.01  -0.10
     9   8     0.00  -0.07  -0.03     0.05  -0.04  -0.01    -0.10   0.10   0.15
    10   6    -0.06   0.03  -0.12    -0.06  -0.11  -0.06    -0.08   0.06  -0.08
    11   6     0.02  -0.07  -0.06    -0.08   0.04  -0.01     0.08  -0.03   0.01
    12   1    -0.02   0.06  -0.03     0.28   0.02   0.09     0.37  -0.19   0.19
    13   1     0.04   0.16   0.07     0.18  -0.09  -0.23     0.32  -0.13  -0.29
    14   1     0.25   0.08   0.01    -0.27  -0.03   0.07    -0.06  -0.09  -0.03
    15   1     0.18  -0.12   0.13    -0.14   0.28   0.03     0.03   0.06   0.09
    16   1    -0.15   0.08  -0.06     0.08  -0.16   0.07    -0.08   0.02  -0.02
    17   1    -0.02   0.05  -0.14     0.00  -0.02   0.21    -0.01   0.04  -0.03
    18   1    -0.06  -0.03   0.12     0.02   0.02  -0.01    -0.04  -0.04   0.04
    19   1    -0.04  -0.16   0.25    -0.01  -0.06   0.11     0.13  -0.10  -0.12
    20   1     0.05   0.11   0.33     0.04   0.09   0.15     0.23  -0.12  -0.17
    21   1    -0.03  -0.14   0.21    -0.01  -0.05   0.08     0.17   0.18  -0.13
    22   1    -0.14   0.02  -0.14    -0.17  -0.38  -0.22    -0.17   0.03  -0.10
    23   1    -0.07   0.03  -0.13    -0.06  -0.16   0.23    -0.01   0.06  -0.05
    24   1     0.00   0.03  -0.19     0.02   0.10  -0.24    -0.06   0.14  -0.14
    25   1    -0.07  -0.31  -0.20    -0.08   0.11  -0.02     0.08  -0.17   0.03
    26   1    -0.17   0.07   0.06    -0.07   0.01  -0.00     0.04   0.08  -0.00
    27   1     0.29  -0.01  -0.08    -0.14   0.03   0.02     0.23  -0.00   0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    384.7229               395.1090               415.9510
 Red. masses --      2.4671                 2.4238                 2.1458
 Frc consts  --      0.2151                 0.2229                 0.2187
 IR Inten    --      0.7434                 0.1689                 1.2041
 RamAct Fr= 1--      0.4340                 1.0362                 0.3890
  Dep-P Fr= 1--      0.3385                 0.2173                 0.6262
  Dep-U Fr= 1--      0.5058                 0.3570                 0.7702
 Alpha2 Fr= 1--      0.0040                 0.0134                 0.0009
 Beta2  Fr= 1--      0.0366                 0.0617                 0.0499
 AlphaG Fr= 1--     -0.0119                -0.0092                -0.0050
 Gamma2 Fr= 1--     -0.2189                -0.1039                 0.2496
 Delta2 Fr= 1--     -0.0799                -0.1332                 0.1231
 Raman1 Fr= 1--       1.736                  4.145                  1.556
 ROA1   Fr= 1--     -23.567                -14.236                 27.898
 CID1   Fr= 1--     -13.576                 -3.435                 17.931
 Raman2 Fr= 1--       0.439                  0.740                  0.599
 ROA2   Fr= 1--      -4.614                 -1.428                  5.005
 CID2   Fr= 1--     -10.509                 -1.930                  8.354
 Raman3 Fr= 1--       0.878                  1.480                  1.198
 ROA3   Fr= 1--     -23.567                -14.236                 27.898
 CID3   Fr= 1--     -26.841                 -9.621                 23.282
 RC180  Fr= 1--       0.012                 -0.286                  0.540
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03   0.10    -0.00   0.02  -0.01    -0.03   0.08   0.03
     2   6     0.06  -0.00   0.13    -0.02   0.05  -0.03    -0.02   0.06   0.03
     3   6    -0.02  -0.09   0.08    -0.02   0.06  -0.03     0.02  -0.05  -0.04
     4   6    -0.08  -0.01  -0.04    -0.05   0.06  -0.02     0.11  -0.07  -0.11
     5   6    -0.00   0.08   0.01    -0.04   0.04  -0.02    -0.04   0.08  -0.04
     6   6     0.05   0.02   0.04    -0.05   0.03  -0.03    -0.03   0.01   0.04
     7   6    -0.03   0.13  -0.04    -0.06   0.02  -0.05     0.00  -0.05   0.14
     8   6    -0.00   0.09  -0.04     0.01   0.03   0.03     0.02   0.08   0.01
     9   8     0.07  -0.03  -0.07    -0.04   0.00   0.03    -0.01  -0.06  -0.04
    10   6    -0.04  -0.04  -0.05     0.05  -0.16   0.15    -0.06   0.01   0.02
    11   6    -0.00  -0.13   0.01     0.18  -0.09  -0.06     0.01  -0.01  -0.02
    12   1    -0.01  -0.13   0.10     0.01   0.07  -0.01    -0.04  -0.16  -0.04
    13   1    -0.04  -0.21   0.06    -0.01   0.04  -0.06     0.02  -0.00  -0.03
    14   1    -0.17  -0.07  -0.06    -0.06   0.05  -0.01     0.29   0.02  -0.30
    15   1    -0.12   0.06  -0.10    -0.05   0.07  -0.02     0.20  -0.30   0.00
    16   1    -0.10   0.27  -0.02    -0.06  -0.01  -0.05     0.28  -0.30   0.13
    17   1    -0.02   0.09  -0.22    -0.05   0.03  -0.02    -0.12  -0.04   0.48
    18   1    -0.02   0.17  -0.04    -0.08   0.07  -0.02    -0.04   0.13  -0.08
    19   1     0.00   0.29  -0.06     0.01  -0.05   0.03     0.02   0.09  -0.00
    20   1    -0.06  -0.07  -0.20     0.04   0.08   0.08     0.03   0.04  -0.03
    21   1    -0.03   0.16  -0.12     0.02   0.01   0.06     0.03   0.15  -0.01
    22   1    -0.19  -0.13  -0.12     0.25  -0.34   0.08    -0.02  -0.01   0.02
    23   1    -0.12  -0.06   0.01    -0.04  -0.20   0.38    -0.14   0.00   0.03
    24   1     0.10  -0.02  -0.22    -0.02  -0.13   0.22    -0.04  -0.04   0.02
    25   1    -0.08  -0.30  -0.12     0.21  -0.31   0.04     0.04  -0.09   0.04
    26   1    -0.13  -0.19   0.17     0.19  -0.02  -0.11     0.05  -0.09  -0.03
    27   1     0.12  -0.08  -0.15     0.37  -0.02  -0.18     0.01   0.01  -0.15
                     13                     14                     15
                      A                      A                      A
 Frequencies --    476.4676               525.0170               560.6597
 Red. masses --      3.2728                 2.9420                 4.2152
 Frc consts  --      0.4378                 0.4778                 0.7807
 IR Inten    --      0.6315                 4.2454                 2.3808
 RamAct Fr= 1--      2.1112                 0.5896                 4.8929
  Dep-P Fr= 1--      0.6158                 0.4073                 0.2171
  Dep-U Fr= 1--      0.7622                 0.5788                 0.3567
 Alpha2 Fr= 1--      0.0052                 0.0043                 0.0635
 Beta2  Fr= 1--      0.2682                 0.0569                 0.2909
 AlphaG Fr= 1--     -0.0058                 0.0032                -0.0728
 Gamma2 Fr= 1--     -0.8560                 0.4929                -0.2591
 Delta2 Fr= 1--     -0.0408                 0.0845                 0.2495
 Raman1 Fr= 1--       8.445                  2.358                 19.572
 ROA1   Fr= 1--     -83.477                 50.026                -16.894
 CID1   Fr= 1--      -9.885                 21.211                 -0.863
 Raman2 Fr= 1--       3.218                  0.683                  3.491
 ROA2   Fr= 1--     -20.217                 11.154                 -8.215
 CID2   Fr= 1--      -6.282                 16.342                 -2.353
 Raman3 Fr= 1--       6.437                  1.365                  6.982
 ROA3   Fr= 1--     -83.477                 50.026                -16.894
 CID3   Fr= 1--     -12.969                 36.647                 -2.420
 RC180  Fr= 1--       0.524                  0.158                 -0.287
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.08  -0.08     0.03   0.08   0.09    -0.05   0.03  -0.08
     2   6     0.03  -0.02   0.07     0.12  -0.08  -0.05     0.03  -0.01  -0.08
     3   6     0.05  -0.04   0.08     0.02   0.04  -0.02    -0.05  -0.10  -0.06
     4   6     0.04   0.00   0.03     0.02   0.06  -0.02    -0.07  -0.19   0.12
     5   6    -0.05   0.05   0.02    -0.09   0.12   0.00    -0.14  -0.03   0.16
     6   6    -0.06  -0.10   0.12     0.10  -0.06  -0.07     0.13   0.12  -0.01
     7   6    -0.09  -0.06   0.02    -0.05  -0.12  -0.06    -0.10   0.11   0.13
     8   6    -0.02   0.01   0.01    -0.04  -0.12  -0.04     0.01  -0.06  -0.05
     9   8    -0.12   0.04   0.01     0.04   0.14   0.10     0.19   0.06   0.00
    10   6     0.19  -0.07  -0.07    -0.05   0.00   0.00    -0.03  -0.02   0.02
    11   6    -0.06   0.11  -0.16    -0.01  -0.04   0.05     0.03   0.09  -0.14
    12   1     0.12  -0.11   0.17    -0.09   0.17  -0.18    -0.06   0.02  -0.13
    13   1     0.10  -0.06  -0.03    -0.08   0.04   0.16    -0.09  -0.07   0.02
    14   1     0.11   0.04  -0.11     0.09   0.09  -0.13     0.14  -0.08  -0.07
    15   1     0.09  -0.11   0.11     0.07  -0.04   0.07     0.04  -0.40   0.29
    16   1    -0.10   0.15   0.05    -0.00  -0.33  -0.09    -0.35   0.14   0.11
    17   1    -0.16  -0.14  -0.16    -0.27  -0.21   0.10    -0.03   0.11  -0.05
    18   1    -0.14   0.10   0.07    -0.20   0.23   0.03    -0.03  -0.06   0.07
    19   1    -0.02   0.14   0.00    -0.09   0.05   0.03     0.02  -0.07  -0.07
    20   1    -0.09  -0.04  -0.06    -0.14  -0.07  -0.02     0.02  -0.06  -0.05
    21   1    -0.05  -0.01  -0.03    -0.15  -0.30  -0.10     0.02  -0.04  -0.04
    22   1     0.31  -0.19  -0.11    -0.17  -0.05  -0.04     0.13  -0.11   0.00
    23   1     0.04  -0.11   0.04    -0.21  -0.02  -0.01    -0.15  -0.04   0.10
    24   1     0.21  -0.13  -0.06     0.11  -0.08  -0.14    -0.06  -0.09   0.09
    25   1    -0.15   0.20  -0.36    -0.02  -0.11   0.04     0.06   0.10  -0.08
    26   1    -0.18   0.01   0.01    -0.02  -0.17   0.13     0.05   0.21  -0.22
    27   1    -0.16   0.09  -0.14    -0.02  -0.01  -0.11     0.07   0.09  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    576.2037               619.5430               652.5346
 Red. masses --      3.6222                 2.6584                 3.7574
 Frc consts  --      0.7086                 0.6012                 0.9426
 IR Inten    --      0.8356                 0.9632                 2.1404
 RamAct Fr= 1--      2.4981                 2.0405                25.5862
  Dep-P Fr= 1--      0.4965                 0.5438                 0.0172
  Dep-U Fr= 1--      0.6636                 0.7045                 0.0337
 Alpha2 Fr= 1--      0.0125                 0.0081                 0.5462
 Beta2  Fr= 1--      0.2763                 0.2396                 0.1439
 AlphaG Fr= 1--     -0.0185                -0.0519                 0.2673
 Gamma2 Fr= 1--      0.2690                 0.2344                -0.3984
 Delta2 Fr= 1--     -0.5151                 0.2758                 0.0314
 Raman1 Fr= 1--       9.992                  8.162                102.345
 ROA1   Fr= 1--       9.339                 31.334                -37.244
 CID1   Fr= 1--       0.935                  3.839                 -0.364
 Raman2 Fr= 1--       3.315                  2.875                  1.726
 ROA2   Fr= 1--      10.577                  3.420                 -9.814
 CID2   Fr= 1--       3.190                  1.189                 -5.685
 Raman3 Fr= 1--       6.631                  5.750                  3.453
 ROA3   Fr= 1--       9.339                 31.334                -37.244
 CID3   Fr= 1--       1.408                  5.449                -10.787
 RC180  Fr= 1--       0.327                  0.409                 -0.933
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.06   0.06    -0.03  -0.06  -0.01    -0.04   0.05  -0.02
     2   6     0.05   0.10  -0.05     0.04   0.07  -0.05     0.03   0.04   0.07
     3   6    -0.04  -0.02  -0.11     0.03   0.05  -0.13    -0.03  -0.08   0.11
     4   6    -0.06  -0.12  -0.02    -0.01  -0.01  -0.06    -0.01  -0.08   0.04
     5   6    -0.06  -0.08   0.04    -0.05  -0.06  -0.03     0.06  -0.09   0.01
     6   6    -0.06   0.12  -0.13     0.09  -0.14   0.18     0.06  -0.04  -0.11
     7   6    -0.10  -0.04  -0.01    -0.04  -0.08   0.04     0.04  -0.19  -0.18
     8   6     0.04   0.18   0.05     0.02   0.12   0.04     0.04   0.21   0.09
     9   8    -0.02   0.00   0.07     0.01   0.08  -0.03     0.03   0.05   0.05
    10   6     0.19  -0.03  -0.09    -0.05   0.01   0.01    -0.13   0.03   0.06
    11   6    -0.02  -0.06   0.14     0.01  -0.05   0.05     0.00   0.09  -0.13
    12   1    -0.12   0.03  -0.21     0.04   0.03  -0.11    -0.04  -0.15   0.14
    13   1    -0.12  -0.03   0.02     0.02   0.03  -0.13    -0.04  -0.13   0.10
    14   1    -0.01  -0.09  -0.02     0.02   0.01  -0.04    -0.10  -0.12   0.13
    15   1    -0.04  -0.14   0.05     0.02  -0.00   0.03    -0.07   0.01  -0.07
    16   1    -0.20  -0.28  -0.07    -0.12   0.50   0.13    -0.07  -0.34  -0.23
    17   1     0.02   0.07   0.16    -0.16  -0.29  -0.53     0.03  -0.18  -0.10
    18   1    -0.13   0.08  -0.01    -0.04  -0.05  -0.05    -0.01  -0.12   0.09
    19   1     0.02   0.14   0.08     0.01   0.08   0.07     0.02   0.34   0.11
    20   1     0.05   0.23   0.10     0.02   0.21   0.13    -0.02   0.18   0.05
    21   1     0.02   0.13   0.06     0.00   0.02   0.07    -0.01   0.20   0.04
    22   1     0.03   0.04  -0.09    -0.09   0.05   0.03    -0.04  -0.00   0.06
    23   1     0.19  -0.01  -0.19     0.01   0.02  -0.03    -0.13   0.02   0.12
    24   1     0.28  -0.05  -0.19    -0.07   0.04   0.02    -0.19   0.04   0.12
    25   1    -0.07   0.10   0.02     0.04  -0.04   0.12     0.03   0.03  -0.08
    26   1    -0.08  -0.07   0.20     0.04   0.06  -0.03     0.04   0.09  -0.17
    27   1    -0.13  -0.10   0.26     0.05  -0.05   0.13     0.04   0.11  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --    714.3281               756.0539               836.2095
 Red. masses --      2.9996                 2.0838                 1.5196
 Frc consts  --      0.9018                 0.7018                 0.6261
 IR Inten    --      0.4383                 7.3510                 0.3252
 RamAct Fr= 1--      3.7640                 2.2088                 1.1871
  Dep-P Fr= 1--      0.5218                 0.6927                 0.1241
  Dep-U Fr= 1--      0.6857                 0.8185                 0.2208
 Alpha2 Fr= 1--      0.0167                 0.0022                 0.0196
 Beta2  Fr= 1--      0.4302                 0.3013                 0.0437
 AlphaG Fr= 1--      0.0245                 0.0084                 0.0589
 Gamma2 Fr= 1--      1.5960                -0.0002                -0.5845
 Delta2 Fr= 1--      0.6145                -0.0404                -0.1311
 Raman1 Fr= 1--      15.056                  8.835                  4.748
 ROA1   Fr= 1--     172.878                 -1.313                -60.311
 CID1   Fr= 1--      11.482                 -0.149                -12.701
 Raman2 Fr= 1--       5.162                  3.616                  0.524
 ROA2   Fr= 1--      33.388                  0.319                -12.980
 CID2   Fr= 1--       6.468                  0.088                -24.760
 Raman3 Fr= 1--      10.324                  7.231                  1.048
 ROA3   Fr= 1--     172.878                 -1.313                -60.311
 CID3   Fr= 1--      16.744                 -0.182                -57.522
 RC180  Fr= 1--       0.371                  0.637                 -0.558
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.18   0.12    -0.03  -0.07  -0.04     0.01   0.01   0.02
     2   6     0.03   0.03  -0.10     0.20  -0.05   0.03    -0.10   0.02   0.01
     3   6    -0.01  -0.02  -0.13     0.09  -0.02  -0.01     0.03  -0.04  -0.02
     4   6    -0.02  -0.11   0.04     0.03   0.02  -0.03     0.09   0.01  -0.06
     5   6     0.13  -0.03   0.10    -0.03  -0.05  -0.03     0.04   0.01   0.05
     6   6    -0.09  -0.05  -0.02    -0.07   0.02   0.02     0.03   0.03   0.01
     7   6     0.10  -0.01   0.04    -0.04   0.08   0.05    -0.08  -0.04   0.02
     8   6    -0.00  -0.03  -0.03     0.05   0.01   0.02    -0.04  -0.02  -0.00
     9   8    -0.12  -0.04  -0.00    -0.06  -0.02   0.02     0.04   0.01  -0.01
    10   6    -0.05   0.04   0.05    -0.05  -0.01   0.02     0.02  -0.01  -0.00
    11   6     0.03   0.05  -0.02    -0.00   0.02  -0.06     0.00   0.01  -0.01
    12   1    -0.07   0.08  -0.23    -0.24   0.15  -0.38    -0.30  -0.19  -0.22
    13   1    -0.04   0.07  -0.03    -0.14   0.01   0.45    -0.03   0.25   0.25
    14   1    -0.11  -0.16   0.17    -0.19  -0.11  -0.01    -0.35  -0.25   0.01
    15   1    -0.08   0.04  -0.03    -0.01   0.28   0.02    -0.03   0.48  -0.13
    16   1    -0.11   0.28   0.07     0.05   0.01   0.05    -0.19  -0.04   0.01
    17   1     0.28   0.03  -0.26     0.03   0.14   0.16    -0.15  -0.10  -0.05
    18   1     0.15   0.09  -0.00     0.03  -0.15  -0.01    -0.00  -0.02   0.12
    19   1    -0.04   0.02   0.03    -0.02   0.33   0.12     0.03  -0.21  -0.11
    20   1    -0.06   0.04   0.02    -0.12  -0.01  -0.03     0.09  -0.08  -0.04
    21   1    -0.08  -0.18  -0.06    -0.12  -0.19  -0.11     0.10   0.20   0.07
    22   1    -0.14  -0.08  -0.03    -0.07   0.03   0.03     0.01  -0.00  -0.00
    23   1    -0.35   0.00   0.09     0.01   0.00  -0.00     0.02  -0.01   0.01
    24   1     0.17  -0.11  -0.13    -0.09   0.03   0.05     0.02  -0.01  -0.00
    25   1    -0.02  -0.06  -0.10     0.02   0.05  -0.02    -0.01   0.00  -0.03
    26   1    -0.02  -0.15   0.13     0.02   0.11  -0.13    -0.01  -0.01   0.02
    27   1     0.02   0.10  -0.28     0.01   0.00   0.03    -0.00   0.02  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    863.2119               873.5968               926.6827
 Red. masses --      2.6435                 2.1939                 2.5998
 Frc consts  --      1.1606                 0.9865                 1.3154
 IR Inten    --      1.9531                 0.4185                 1.1582
 RamAct Fr= 1--      3.5700                 6.8201                 4.3676
  Dep-P Fr= 1--      0.0860                 0.1893                 0.1544
  Dep-U Fr= 1--      0.1584                 0.3184                 0.2676
 Alpha2 Fr= 1--      0.0647                 0.0953                 0.0668
 Beta2  Fr= 1--      0.0942                 0.3619                 0.1948
 AlphaG Fr= 1--      0.0063                -0.1635                -0.0151
 Gamma2 Fr= 1--     -0.2573                -0.6053                 1.9389
 Delta2 Fr= 1--     -0.2360                -0.2185                 0.2340
 Raman1 Fr= 1--      14.280                 27.280                 17.470
 ROA1   Fr= 1--     -32.250                -65.101                193.622
 CID1   Fr= 1--      -2.258                 -2.386                 11.083
 Raman2 Fr= 1--       1.131                  4.343                  2.337
 ROA2   Fr= 1--      -4.287                -12.779                 44.661
 CID2   Fr= 1--      -3.791                 -2.943                 19.109
 Raman3 Fr= 1--       2.262                  8.685                  4.674
 ROA3   Fr= 1--     -32.250                -65.101                193.622
 CID3   Fr= 1--     -14.259                 -7.496                 41.423
 RC180  Fr= 1--      -0.683                 -0.363                 -0.465
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.05     0.02   0.00   0.01     0.05   0.01   0.05
     2   6     0.04   0.04  -0.12     0.03  -0.03   0.11     0.02   0.04  -0.07
     3   6    -0.03  -0.11   0.10    -0.07   0.02  -0.12     0.04   0.04   0.21
     4   6     0.01   0.06  -0.05     0.03   0.15  -0.10    -0.02   0.01  -0.12
     5   6     0.12   0.18   0.15     0.07  -0.09   0.08    -0.02  -0.16  -0.10
     6   6    -0.02  -0.05  -0.09    -0.01   0.05  -0.03    -0.01   0.08  -0.01
     7   6     0.01  -0.01   0.08    -0.07  -0.04   0.06    -0.08  -0.03   0.08
     8   6     0.02   0.03  -0.04     0.01  -0.04   0.04    -0.01  -0.01  -0.08
     9   8    -0.05  -0.00   0.02     0.01  -0.00   0.01     0.03   0.00   0.01
    10   6    -0.01  -0.02  -0.02    -0.03   0.01   0.02    -0.02   0.03   0.05
    11   6    -0.02  -0.05   0.01     0.01   0.01  -0.01     0.03   0.04  -0.01
    12   1    -0.03  -0.08   0.07     0.12  -0.06   0.08     0.06   0.06   0.22
    13   1    -0.07  -0.23   0.10    -0.05  -0.25  -0.33     0.04  -0.08   0.14
    14   1     0.03   0.05  -0.29     0.24   0.29  -0.01     0.05   0.06  -0.13
    15   1    -0.03  -0.10  -0.24     0.05  -0.09  -0.19    -0.02  -0.12  -0.20
    16   1    -0.30   0.07   0.06    -0.41  -0.08   0.01    -0.21   0.10   0.09
    17   1    -0.06  -0.10  -0.15     0.08   0.02  -0.06     0.07   0.01  -0.10
    18   1     0.20   0.08   0.15     0.13  -0.27   0.17     0.06  -0.22  -0.14
    19   1    -0.06  -0.06   0.08     0.03   0.23  -0.01    -0.06  -0.34   0.01
    20   1     0.01   0.29   0.19    -0.09  -0.27  -0.19     0.09   0.30   0.22
    21   1    -0.06  -0.24   0.00    -0.03   0.07  -0.08     0.01  -0.22   0.07
    22   1     0.05   0.06   0.03    -0.04   0.01   0.02    -0.19  -0.01   0.00
    23   1     0.19   0.00  -0.03    -0.03   0.01   0.01    -0.18   0.02  -0.02
    24   1    -0.15   0.09   0.08    -0.02   0.01   0.01     0.17  -0.06  -0.13
    25   1     0.04   0.04   0.12    -0.02   0.04  -0.09    -0.03  -0.00  -0.14
    26   1     0.03   0.17  -0.15    -0.02  -0.02   0.04    -0.02  -0.15   0.14
    27   1     0.05  -0.08   0.25    -0.02   0.01  -0.03    -0.03   0.06  -0.19
                     25                     26                     27
                      A                      A                      A
 Frequencies --    944.2818               947.7758               960.2831
 Red. masses --      1.7395                 2.1469                 1.6752
 Frc consts  --      0.9138                 1.1363                 0.9102
 IR Inten    --      2.2311                 1.8846                 1.4287
 RamAct Fr= 1--      2.4667                 2.1537                 4.5104
  Dep-P Fr= 1--      0.4816                 0.7476                 0.7339
  Dep-U Fr= 1--      0.6501                 0.8556                 0.8466
 Alpha2 Fr= 1--      0.0132                 0.0001                 0.0012
 Beta2  Fr= 1--      0.2673                 0.3071                 0.6364
 AlphaG Fr= 1--     -0.0100                 0.0026                 0.0108
 Gamma2 Fr= 1--      0.5431                 0.5236                -0.5374
 Delta2 Fr= 1--      0.8980                 0.7880                -1.3021
 Raman1 Fr= 1--       9.867                  8.615                 18.042
 ROA1   Fr= 1--      80.873                 75.479                -93.257
 CID1   Fr= 1--       8.196                  8.762                 -5.169
 Raman2 Fr= 1--       3.207                  3.685                  7.637
 ROA2   Fr= 1--       5.851                  6.262                 -2.481
 CID2   Fr= 1--       1.824                  1.699                 -0.325
 Raman3 Fr= 1--       6.415                  7.371                 15.273
 ROA3   Fr= 1--      80.873                 75.479                -93.257
 CID3   Fr= 1--      12.607                 10.240                 -6.106
 RC180  Fr= 1--       0.300                  0.711                  0.693
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03  -0.00     0.05  -0.09   0.05    -0.03   0.07  -0.08
     2   6    -0.03  -0.02   0.05     0.00  -0.00   0.04     0.01  -0.01   0.02
     3   6     0.09   0.03   0.01     0.01   0.15   0.00     0.02   0.08   0.04
     4   6    -0.08   0.01  -0.03    -0.04  -0.15  -0.04    -0.02  -0.08  -0.03
     5   6    -0.05   0.04  -0.00     0.10   0.07   0.01     0.04  -0.01  -0.02
     6   6    -0.02   0.05  -0.08     0.01  -0.02   0.00     0.01  -0.01  -0.03
     7   6     0.11  -0.10   0.05    -0.09   0.03   0.01    -0.04   0.01   0.03
     8   6    -0.03  -0.01   0.04     0.00  -0.02   0.01     0.03  -0.02   0.01
     9   8    -0.00  -0.02   0.01    -0.01   0.00   0.00     0.00   0.01   0.01
    10   6    -0.04  -0.02  -0.01    -0.05  -0.05   0.05    -0.03   0.06  -0.09
    11   6     0.03   0.00  -0.01     0.03   0.02  -0.09     0.02  -0.05   0.09
    12   1    -0.08   0.14  -0.18     0.17   0.15   0.14     0.05   0.05   0.07
    13   1    -0.01   0.10   0.23     0.14   0.22  -0.18     0.08   0.18  -0.00
    14   1     0.05   0.06  -0.31    -0.04  -0.14   0.06    -0.08  -0.13   0.01
    15   1     0.05  -0.14   0.25    -0.11  -0.09  -0.20    -0.05  -0.01  -0.09
    16   1    -0.19   0.22   0.07    -0.15  -0.16  -0.03    -0.15  -0.05   0.01
    17   1     0.32  -0.06  -0.32    -0.24  -0.03   0.11    -0.08  -0.02  -0.01
    18   1    -0.08   0.23  -0.13     0.14   0.31  -0.21     0.21  -0.07  -0.14
    19   1     0.05  -0.02  -0.08     0.00   0.04   0.00    -0.01   0.16   0.05
    20   1     0.04  -0.19  -0.11    -0.03  -0.07  -0.04    -0.07  -0.06  -0.04
    21   1     0.07   0.24   0.03    -0.01  -0.01  -0.02    -0.06  -0.07  -0.06
    22   1     0.02   0.06   0.05    -0.33   0.17   0.13     0.56  -0.18  -0.12
    23   1     0.15   0.00  -0.01     0.23   0.02  -0.15    -0.19  -0.02   0.28
    24   1    -0.18   0.07   0.11    -0.04   0.13  -0.04    -0.27  -0.06   0.25
    25   1    -0.03   0.09  -0.16    -0.00   0.18  -0.18    -0.04   0.02  -0.04
    26   1    -0.05  -0.05   0.10    -0.03   0.13  -0.09    -0.07  -0.12   0.21
    27   1    -0.06  -0.02   0.02    -0.02  -0.03   0.11    -0.09  -0.07   0.10
                     28                     29                     30
                      A                      A                      A
 Frequencies --    966.2582              1002.9684              1032.5153
 Red. masses --      1.6050                 1.7337                 1.4950
 Frc consts  --      0.8829                 1.0276                 0.9390
 IR Inten    --      2.4686                 0.0792                 0.7856
 RamAct Fr= 1--      4.4730                 2.2097                 1.8073
  Dep-P Fr= 1--      0.7340                 0.6559                 0.7415
  Dep-U Fr= 1--      0.8466                 0.7922                 0.8516
 Alpha2 Fr= 1--      0.0012                 0.0037                 0.0003
 Beta2  Fr= 1--      0.6311                 0.2918                 0.2565
 AlphaG Fr= 1--     -0.0015                 0.0131                -0.0012
 Gamma2 Fr= 1--      0.3558                 0.1632                -0.2626
 Delta2 Fr= 1--     -1.1032                 0.1577                -0.4062
 Raman1 Fr= 1--      17.892                  8.839                  7.229
 ROA1   Fr= 1--      -1.141                 20.716                -38.210
 CID1   Fr= 1--      -0.064                  2.344                 -5.286
 Raman2 Fr= 1--       7.574                  3.501                  3.078
 ROA2   Fr= 1--      17.366                  2.656                 -3.053
 CID2   Fr= 1--       2.293                  0.759                 -0.992
 Raman3 Fr= 1--      15.147                  7.002                  6.156
 ROA3   Fr= 1--      -1.141                 20.716                -38.210
 CID3   Fr= 1--      -0.075                  2.958                 -6.207
 RC180  Fr= 1--       0.693                  0.584                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.04   0.03     0.02  -0.00  -0.01    -0.01  -0.01   0.02
     2   6     0.00  -0.01   0.03     0.01  -0.00  -0.03    -0.01  -0.01   0.01
     3   6     0.03   0.05   0.03    -0.01  -0.09  -0.03    -0.01   0.04  -0.01
     4   6    -0.03  -0.04  -0.02     0.02   0.03   0.12    -0.00  -0.01  -0.06
     5   6     0.02  -0.01  -0.01     0.08   0.03  -0.11    -0.06  -0.03   0.09
     6   6     0.00  -0.00  -0.04    -0.00   0.02  -0.01     0.02  -0.05   0.02
     7   6    -0.00  -0.02   0.04    -0.08   0.00   0.03     0.03   0.04  -0.03
     8   6     0.02  -0.02   0.03    -0.01   0.02  -0.00     0.03   0.01  -0.03
     9   8     0.00   0.00   0.01    -0.00   0.00   0.00     0.01   0.01  -0.00
    10   6     0.10  -0.04  -0.03    -0.04  -0.05  -0.02    -0.02  -0.07  -0.05
    11   6    -0.10   0.05   0.02     0.04   0.06   0.05     0.04   0.08   0.03
    12   1     0.03   0.08   0.01    -0.01   0.07  -0.12    -0.02  -0.12   0.06
    13   1     0.04   0.09   0.03    -0.09  -0.19   0.07     0.04   0.09  -0.07
    14   1    -0.01  -0.03  -0.06     0.13   0.11   0.26    -0.08  -0.07  -0.18
    15   1    -0.02  -0.06  -0.02     0.04  -0.02   0.15    -0.01   0.03  -0.05
    16   1    -0.14   0.04   0.03    -0.07   0.01   0.04     0.07  -0.06  -0.04
    17   1     0.01  -0.05  -0.12    -0.27  -0.12  -0.03     0.19   0.16   0.11
    18   1     0.16  -0.07  -0.10     0.23   0.02  -0.26    -0.19  -0.08   0.27
    19   1     0.01   0.15   0.02     0.00  -0.06  -0.02    -0.05   0.00   0.09
    20   1    -0.06  -0.11  -0.07     0.04   0.04   0.02    -0.03   0.17   0.10
    21   1    -0.03   0.01  -0.05     0.03   0.05   0.03    -0.05  -0.21  -0.02
    22   1    -0.02   0.05  -0.01    -0.00   0.13   0.09     0.07   0.13   0.08
    23   1     0.21  -0.01  -0.15     0.30  -0.00  -0.07     0.37  -0.02  -0.06
    24   1     0.13   0.03  -0.10    -0.25   0.15   0.13    -0.28   0.16   0.15
    25   1     0.08  -0.40   0.46    -0.05  -0.11  -0.12    -0.05  -0.09  -0.14
    26   1     0.18   0.00  -0.24    -0.03  -0.29   0.27    -0.03  -0.26   0.25
    27   1     0.21   0.19  -0.38    -0.06   0.10  -0.31    -0.06   0.12  -0.32
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1039.7231              1057.4110              1102.1967
 Red. masses --      1.9694                 2.1714                 1.3159
 Frc consts  --      1.2544                 1.4305                 0.9419
 IR Inten    --     22.3124                20.8080                 1.8891
 RamAct Fr= 1--      2.3488                 1.3192                 1.6146
  Dep-P Fr= 1--      0.6886                 0.6438                 0.6805
  Dep-U Fr= 1--      0.8156                 0.7833                 0.8098
 Alpha2 Fr= 1--      0.0025                 0.0025                 0.0020
 Beta2  Fr= 1--      0.3193                 0.1722                 0.2179
 AlphaG Fr= 1--      0.0086                -0.0135                -0.0051
 Gamma2 Fr= 1--      0.0300                -0.5303                -0.9588
 Delta2 Fr= 1--      0.3060                 0.3177                -0.5112
 Raman1 Fr= 1--       9.395                  5.277                  6.458
 ROA1   Fr= 1--      12.678                -40.746               -108.400
 CID1   Fr= 1--       1.349                 -7.722                -16.785
 Raman2 Fr= 1--       3.831                  2.067                  2.615
 ROA2   Fr= 1--      -1.727                -15.270                -18.921
 CID2   Fr= 1--      -0.451                 -7.389                 -7.235
 Raman3 Fr= 1--       7.663                  4.133                  5.230
 ROA3   Fr= 1--      12.678                -40.746               -108.400
 CID3   Fr= 1--       1.654                 -9.858                -20.726
 RC180  Fr= 1--       0.631                  0.567                  0.620
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.00   0.01  -0.03     0.02   0.01  -0.03
     2   6     0.01   0.08   0.01     0.04   0.05  -0.01    -0.03   0.01   0.05
     3   6    -0.07  -0.01   0.02     0.09  -0.01  -0.01     0.02  -0.01  -0.03
     4   6     0.07  -0.03   0.02    -0.08  -0.03  -0.02    -0.05   0.03   0.02
     5   6    -0.01   0.01  -0.05     0.09  -0.00   0.07     0.04  -0.01  -0.01
     6   6    -0.05   0.18   0.05    -0.03   0.10   0.18     0.00   0.00   0.09
     7   6    -0.00  -0.12   0.00    -0.02  -0.05  -0.12    -0.00  -0.01  -0.05
     8   6     0.08  -0.08  -0.03    -0.05  -0.03  -0.01     0.03   0.00  -0.05
     9   8     0.03  -0.02  -0.01    -0.00  -0.02  -0.03     0.00  -0.00  -0.02
    10   6    -0.02  -0.03  -0.02    -0.02   0.01  -0.03    -0.01   0.01   0.01
    11   6    -0.02  -0.02   0.00    -0.02   0.01   0.02    -0.02  -0.01   0.00
    12   1     0.01  -0.14   0.15     0.11   0.47  -0.23    -0.15  -0.28  -0.04
    13   1     0.03   0.03  -0.14    -0.09  -0.22   0.20     0.03   0.14   0.04
    14   1    -0.06  -0.08   0.24     0.11   0.08  -0.11     0.03   0.06  -0.18
    15   1    -0.00   0.16  -0.06    -0.10  -0.29  -0.23     0.10   0.00   0.42
    16   1     0.04   0.18   0.06     0.08  -0.16  -0.13    -0.42  -0.33  -0.15
    17   1     0.09  -0.11  -0.18    -0.10  -0.05   0.08     0.20   0.13   0.07
    18   1    -0.38   0.37   0.04    -0.12  -0.02   0.30     0.20   0.10  -0.25
    19   1    -0.04   0.21   0.12     0.02  -0.22  -0.12    -0.06  -0.06   0.08
    20   1    -0.16  -0.02  -0.02     0.09  -0.08  -0.03    -0.02   0.18   0.10
    21   1    -0.16  -0.38  -0.18     0.07   0.11   0.06    -0.04  -0.25  -0.01
    22   1     0.03   0.06   0.04     0.12  -0.02  -0.02    -0.05  -0.00   0.00
    23   1     0.14  -0.00  -0.01     0.01   0.00   0.04    -0.04   0.01  -0.00
    24   1    -0.15   0.09   0.07    -0.10   0.01   0.07     0.02  -0.00  -0.01
    25   1     0.02  -0.01   0.08     0.01  -0.10   0.10     0.02  -0.03   0.09
    26   1     0.02   0.07  -0.08     0.03  -0.03  -0.02     0.02   0.04  -0.06
    27   1     0.04  -0.02   0.06     0.02   0.04  -0.07     0.03  -0.01   0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1120.4900              1150.6750              1173.3680
 Red. masses --      1.4432                 2.0119                 2.4792
 Frc consts  --      1.0676                 1.5695                 2.0111
 IR Inten    --      3.7993                 1.0148                 0.5374
 RamAct Fr= 1--      4.9948                 1.0415                 3.9071
  Dep-P Fr= 1--      0.7462                 0.6926                 0.7491
  Dep-U Fr= 1--      0.8547                 0.8184                 0.8566
 Alpha2 Fr= 1--      0.0003                 0.0010                 0.0001
 Beta2  Fr= 1--      0.7115                 0.1420                 0.5578
 AlphaG Fr= 1--     -0.0008                 0.0094                 0.0059
 Gamma2 Fr= 1--      0.6888                -0.3100                 1.2393
 Delta2 Fr= 1--     -0.0251                -0.7899                 0.1109
 Raman1 Fr= 1--      19.979                  4.166                 15.628
 ROA1   Fr= 1--      65.318                -55.040                122.520
 CID1   Fr= 1--       3.269                -13.212                  7.840
 Raman2 Fr= 1--       8.538                  1.705                  6.693
 ROA2   Fr= 1--      16.731                 -1.122                 28.856
 CID2   Fr= 1--       1.960                 -0.658                  4.311
 Raman3 Fr= 1--      17.075                  3.409                 13.387
 ROA3   Fr= 1--      65.318                -55.040                122.520
 CID3   Fr= 1--       3.825                -16.145                  9.152
 RC180  Fr= 1--       0.709                  0.637                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.06    -0.11  -0.06   0.11    -0.03   0.07   0.16
     2   6     0.07  -0.01   0.07    -0.04  -0.04   0.14    -0.14   0.11  -0.08
     3   6     0.00   0.03  -0.02     0.03   0.04  -0.07     0.09  -0.05   0.03
     4   6     0.04  -0.01  -0.03    -0.03  -0.01  -0.01    -0.07   0.07  -0.03
     5   6    -0.01  -0.03   0.00    -0.00   0.03   0.03     0.03  -0.12   0.01
     6   6     0.02  -0.06  -0.03    -0.02   0.07  -0.04     0.04  -0.08  -0.00
     7   6    -0.02   0.01   0.03     0.06  -0.02  -0.01    -0.03   0.04  -0.02
     8   6    -0.07   0.02  -0.05     0.03   0.03  -0.09     0.06  -0.05   0.04
     9   8    -0.01   0.01   0.01     0.01  -0.02   0.00     0.02   0.02  -0.00
    10   6    -0.02  -0.00  -0.06     0.05   0.03  -0.03     0.02  -0.04  -0.05
    11   6    -0.05  -0.01  -0.03     0.03   0.02  -0.05     0.02  -0.04  -0.06
    12   1     0.02  -0.01   0.01    -0.05  -0.04  -0.10    -0.15  -0.09  -0.16
    13   1    -0.10  -0.27   0.01    -0.08  -0.14   0.05    -0.03  -0.03   0.27
    14   1     0.07   0.05   0.37     0.07   0.07   0.15     0.20   0.26   0.19
    15   1     0.01   0.09  -0.05    -0.00  -0.03   0.05    -0.02  -0.20  -0.06
    16   1    -0.09  -0.01   0.02     0.18   0.10   0.02     0.16  -0.00  -0.00
    17   1     0.25   0.18   0.05    -0.44  -0.35  -0.14    -0.07   0.05   0.10
    18   1    -0.16   0.35  -0.16     0.16  -0.12  -0.01    -0.03   0.17  -0.16
    19   1    -0.02  -0.35  -0.09    -0.11  -0.15   0.14     0.01   0.29   0.08
    20   1     0.17   0.12   0.09     0.00   0.32   0.18    -0.20  -0.17  -0.12
    21   1     0.11   0.07   0.16    -0.02  -0.33   0.04    -0.13  -0.08  -0.19
    22   1     0.22  -0.00  -0.02     0.17  -0.10  -0.08     0.15   0.06   0.02
    23   1     0.06  -0.01   0.10    -0.07  -0.01   0.07     0.20  -0.02   0.01
    24   1    -0.20   0.03   0.14     0.08  -0.11   0.00    -0.11   0.06   0.06
    25   1     0.04  -0.02   0.15    -0.02   0.10  -0.17     0.02   0.21  -0.07
    26   1     0.05   0.14  -0.20    -0.04   0.03   0.01    -0.07   0.19  -0.07
    27   1     0.09   0.01   0.03    -0.06  -0.00  -0.01    -0.01  -0.08   0.19
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1191.9830              1218.6914              1228.3190
 Red. masses --      1.6685                 1.9588                 1.7583
 Frc consts  --      1.3967                 1.7141                 1.5630
 IR Inten    --      3.3791                 1.0053                 3.2303
 RamAct Fr= 1--      1.8399                 2.0874                 2.3732
  Dep-P Fr= 1--      0.7493                 0.7258                 0.7051
  Dep-U Fr= 1--      0.8567                 0.8411                 0.8270
 Alpha2 Fr= 1--      0.0000                 0.0009                 0.0019
 Beta2  Fr= 1--      0.2627                 0.2926                 0.3271
 AlphaG Fr= 1--      0.0000                 0.0040                -0.0131
 Gamma2 Fr= 1--      1.0341                -1.0986                -0.8715
 Delta2 Fr= 1--      0.5253                -0.8850                -0.9940
 Raman1 Fr= 1--       7.359                  8.350                  9.493
 ROA1   Fr= 1--     116.082               -133.790               -115.476
 CID1   Fr= 1--      15.773                -16.023                -12.164
 Raman2 Fr= 1--       3.152                  3.512                  3.926
 ROA2   Fr= 1--      20.616                -19.287                -12.964
 CID2   Fr= 1--       6.540                 -5.493                 -3.303
 Raman3 Fr= 1--       6.305                  7.023                  7.851
 ROA3   Fr= 1--     116.082               -133.790               -115.476
 CID3   Fr= 1--      18.413                -19.050                -14.708
 RC180  Fr= 1--       0.713                  0.682                  0.654
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.09  -0.00    -0.10  -0.05   0.04    -0.08   0.17   0.03
     2   6    -0.10  -0.11  -0.06     0.08   0.15  -0.07    -0.02  -0.03   0.03
     3   6     0.01  -0.03   0.01    -0.04   0.05   0.04    -0.02  -0.02  -0.01
     4   6     0.05   0.01  -0.01     0.06  -0.03  -0.04     0.04  -0.03   0.01
     5   6    -0.00   0.03  -0.00    -0.07   0.00   0.04    -0.05   0.05  -0.06
     6   6     0.01  -0.01   0.05    -0.01  -0.01   0.05     0.00   0.00   0.04
     7   6     0.01  -0.00   0.02     0.08   0.01  -0.04     0.01  -0.04  -0.00
     8   6     0.05   0.05   0.02    -0.03  -0.06   0.04    -0.00   0.01  -0.03
     9   8     0.02   0.00  -0.01    -0.02  -0.01  -0.01     0.01   0.00  -0.01
    10   6     0.03   0.05   0.01     0.03   0.00  -0.01     0.02  -0.07   0.01
    11   6     0.03   0.04   0.00     0.05   0.03  -0.00     0.04  -0.07  -0.03
    12   1     0.12   0.37  -0.10     0.03  -0.08   0.16     0.19   0.44  -0.06
    13   1    -0.02  -0.09   0.03    -0.17  -0.47  -0.02    -0.03  -0.08  -0.01
    14   1     0.04   0.03   0.23    -0.11  -0.12   0.03    -0.06  -0.10   0.04
    15   1    -0.04   0.04  -0.25     0.11   0.23   0.27     0.00   0.07  -0.04
    16   1    -0.36  -0.16  -0.04    -0.23  -0.22  -0.11    -0.18  -0.09  -0.03
    17   1     0.25   0.14   0.03    -0.09  -0.10  -0.03     0.26   0.11  -0.02
    18   1    -0.20   0.40  -0.09     0.24   0.02  -0.29     0.18  -0.41   0.07
    19   1    -0.01   0.20   0.10     0.07  -0.01  -0.11    -0.03  -0.05   0.03
    20   1    -0.08   0.09   0.04     0.00  -0.26  -0.14     0.01   0.09   0.05
    21   1    -0.03   0.00  -0.04    -0.02   0.11  -0.05     0.01  -0.04   0.03
    22   1     0.04  -0.12  -0.08     0.05  -0.04  -0.03    -0.07   0.12   0.09
    23   1    -0.15   0.01   0.03     0.01  -0.00  -0.01     0.25  -0.01  -0.15
    24   1     0.14  -0.11  -0.05     0.06  -0.04  -0.02     0.02   0.13  -0.08
    25   1    -0.03  -0.04  -0.10    -0.03   0.04  -0.16     0.03   0.21  -0.07
    26   1    -0.02  -0.10   0.11    -0.05  -0.05   0.12    -0.13   0.13   0.05
    27   1    -0.07   0.04  -0.12    -0.11   0.01  -0.06    -0.08  -0.14   0.28
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1248.4819              1268.2079              1275.5231
 Red. masses --      1.7892                 1.9539                 1.5113
 Frc consts  --      1.6431                 1.8516                 1.4487
 IR Inten    --      1.7872                 0.0451                 3.0669
 RamAct Fr= 1--      4.6485                 1.3334                 5.5820
  Dep-P Fr= 1--      0.6449                 0.6188                 0.7378
  Dep-U Fr= 1--      0.7841                 0.7645                 0.8491
 Alpha2 Fr= 1--      0.0088                 0.0032                 0.0012
 Beta2  Fr= 1--      0.6075                 0.1699                 0.7899
 AlphaG Fr= 1--      0.0127                -0.0019                -0.0014
 Gamma2 Fr= 1--     -0.1262                 0.2307                 2.3836
 Delta2 Fr= 1--     -0.7824                 0.3884                 1.1206
 Raman1 Fr= 1--      18.594                  5.333                 22.328
 ROA1   Fr= 1--     -37.150                 34.571                264.689
 CID1   Fr= 1--      -1.998                  6.482                 11.855
 Raman2 Fr= 1--       7.290                  2.039                  9.479
 ROA2   Fr= 1--       3.232                  2.429                 48.243
 CID2   Fr= 1--       0.443                  1.191                  5.089
 Raman3 Fr= 1--      14.580                  4.077                 18.959
 ROA3   Fr= 1--     -37.150                 34.571                264.689
 CID3   Fr= 1--      -2.548                  8.479                 13.961
 RC180  Fr= 1--       0.568                  0.529                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.05   0.17    -0.10  -0.07   0.06    -0.06  -0.04   0.08
     2   6     0.00  -0.05  -0.06     0.02   0.07   0.03     0.11   0.02  -0.03
     3   6    -0.09  -0.05   0.02    -0.01   0.03  -0.04    -0.01  -0.06  -0.00
     4   6     0.03   0.04   0.00     0.00   0.00   0.09    -0.03   0.02   0.03
     5   6     0.02  -0.03  -0.02     0.09   0.05  -0.05    -0.04   0.05  -0.05
     6   6    -0.01   0.03   0.03     0.02  -0.04  -0.02    -0.01   0.01   0.04
     7   6     0.00   0.01  -0.01    -0.15  -0.09  -0.02     0.03  -0.02  -0.00
     8   6     0.00   0.02   0.01    -0.00  -0.02  -0.01    -0.04  -0.01   0.01
     9   8     0.00  -0.01  -0.01     0.02   0.02   0.01    -0.01  -0.00  -0.00
    10   6    -0.03   0.02  -0.07     0.03   0.04  -0.01     0.01   0.01  -0.03
    11   6    -0.04   0.01  -0.05     0.03   0.01  -0.01     0.02   0.01  -0.02
    12   1     0.19   0.41   0.03    -0.02  -0.12   0.03    -0.10  -0.28   0.02
    13   1     0.09   0.21  -0.20    -0.09  -0.16   0.01     0.24   0.62  -0.08
    14   1    -0.16  -0.13  -0.48    -0.10  -0.11  -0.43     0.11   0.14   0.24
    15   1     0.11   0.14   0.27    -0.04  -0.05  -0.05    -0.12  -0.18  -0.33
    16   1    -0.01  -0.02  -0.01     0.30   0.27   0.09    -0.22  -0.10  -0.04
    17   1    -0.12  -0.06   0.00     0.52   0.34   0.12     0.10   0.02  -0.02
    18   1     0.06  -0.05  -0.05     0.06   0.00   0.02     0.03  -0.16   0.05
    19   1     0.01   0.04  -0.00    -0.01  -0.04   0.00     0.04  -0.06  -0.09
    20   1    -0.00   0.02   0.01    -0.01  -0.04  -0.03     0.10  -0.06  -0.02
    21   1     0.01   0.06  -0.00    -0.01  -0.05  -0.01     0.03   0.06   0.05
    22   1     0.25  -0.01  -0.03     0.08  -0.10  -0.07     0.11  -0.04  -0.03
    23   1     0.02  -0.01   0.18    -0.07   0.01   0.03     0.03  -0.00   0.04
    24   1    -0.17  -0.05   0.14     0.09  -0.10  -0.02    -0.00  -0.05   0.01
    25   1     0.02   0.04   0.06    -0.02   0.04  -0.13    -0.01   0.04  -0.09
    26   1     0.05   0.11  -0.17    -0.03   0.00   0.04    -0.02   0.02   0.01
    27   1     0.10   0.04  -0.04    -0.07   0.00  -0.05    -0.05   0.00  -0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1302.5950              1328.2324              1335.7280
 Red. masses --      2.1532                 1.7044                 1.4893
 Frc consts  --      2.1526                 1.7717                 1.5655
 IR Inten    --      8.4663                 1.9652                 1.1022
 RamAct Fr= 1--      3.0638                 4.1128                 1.9273
  Dep-P Fr= 1--      0.7405                 0.6530                 0.7199
  Dep-U Fr= 1--      0.8509                 0.7901                 0.8372
 Alpha2 Fr= 1--      0.0005                 0.0072                 0.0010
 Beta2  Fr= 1--      0.4345                 0.5416                 0.2689
 AlphaG Fr= 1--      0.0092                 0.0019                 0.0080
 Gamma2 Fr= 1--      1.1136                 1.2994                -0.6124
 Delta2 Fr= 1--      1.3569                 0.7819                -0.4576
 Raman1 Fr= 1--      12.255                 16.451                  7.709
 ROA1   Fr= 1--     150.330                149.767                -73.436
 CID1   Fr= 1--      12.267                  9.104                 -9.526
 Raman2 Fr= 1--       5.214                  6.499                  3.227
 ROA2   Fr= 1--      15.872                 24.931                -11.038
 CID2   Fr= 1--       3.044                  3.836                 -3.421
 Raman3 Fr= 1--      10.428                 12.998                  6.454
 ROA3   Fr= 1--     150.330                149.767                -73.436
 CID3   Fr= 1--      14.416                 11.522                -11.379
 RC180  Fr= 1--       0.702                  0.580                  0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13  -0.07   0.03     0.10  -0.05  -0.01     0.02  -0.05   0.02
     2   6    -0.08   0.13   0.06    -0.05   0.02   0.00    -0.02   0.03  -0.01
     3   6     0.04   0.02  -0.04     0.01  -0.03   0.01    -0.00  -0.01   0.03
     4   6     0.03  -0.02   0.10     0.02  -0.00  -0.04    -0.06  -0.06  -0.11
     5   6    -0.07   0.06  -0.11    -0.12   0.07   0.10     0.06   0.09  -0.05
     6   6     0.02  -0.05  -0.02    -0.01   0.02   0.01     0.01  -0.02  -0.01
     7   6     0.07   0.05   0.05    -0.04  -0.07  -0.06    -0.03  -0.01   0.01
     8   6     0.03  -0.03  -0.01     0.02  -0.00   0.00     0.01  -0.01   0.01
     9   8    -0.01   0.00   0.00     0.01   0.00  -0.00     0.00   0.01   0.00
    10   6    -0.03   0.03  -0.01    -0.02   0.01  -0.01    -0.01   0.02  -0.00
    11   6    -0.04   0.01  -0.01    -0.03   0.03  -0.00    -0.01   0.01  -0.00
    12   1     0.01   0.05  -0.07     0.02   0.14  -0.07     0.03   0.08   0.01
    13   1    -0.14  -0.29   0.12     0.04   0.06   0.00     0.01   0.02   0.02
    14   1    -0.07  -0.10  -0.12     0.08   0.07   0.28     0.12   0.10   0.44
    15   1    -0.14  -0.11  -0.41    -0.03   0.06  -0.16     0.15   0.13   0.57
    16   1    -0.38  -0.22  -0.05     0.27   0.16   0.01    -0.05   0.07   0.03
    17   1    -0.01  -0.03  -0.07     0.24   0.12   0.05     0.12   0.10   0.07
    18   1    -0.10  -0.35   0.24     0.59  -0.21  -0.40    -0.14  -0.29   0.45
    19   1    -0.02  -0.04   0.05    -0.00   0.02   0.03     0.01   0.03   0.00
    20   1    -0.12  -0.07  -0.06    -0.06   0.00  -0.01    -0.04  -0.03  -0.02
    21   1    -0.08  -0.15  -0.09    -0.04  -0.04  -0.05    -0.02   0.00  -0.04
    22   1     0.05  -0.02  -0.02     0.00   0.01   0.00     0.04  -0.05  -0.03
    23   1    -0.06   0.00   0.10    -0.02  -0.00   0.07    -0.02   0.01   0.04
    24   1    -0.07  -0.05   0.07    -0.05  -0.04   0.05     0.02  -0.06   0.01
    25   1     0.01  -0.06   0.10     0.01  -0.09   0.09    -0.00  -0.02   0.00
    26   1     0.08  -0.00  -0.12     0.06  -0.07  -0.05     0.03  -0.03  -0.02
    27   1     0.11   0.04  -0.03     0.08   0.04  -0.01     0.03   0.02  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1350.1459              1409.5625              1416.5965
 Red. masses --      2.3458                 1.2380                 1.2818
 Frc consts  --      2.5194                 1.4493                 1.5155
 IR Inten    --      5.1502                 6.8337                 6.7660
 RamAct Fr= 1--      4.3857                 0.0503                 0.3205
  Dep-P Fr= 1--      0.5222                 0.5295                 0.1278
  Dep-U Fr= 1--      0.6861                 0.6924                 0.2266
 Alpha2 Fr= 1--      0.0194                 0.0002                 0.0052
 Beta2  Fr= 1--      0.5015                 0.0058                 0.0121
 AlphaG Fr= 1--      0.0032                -0.0019                -0.0021
 Gamma2 Fr= 1--      0.5872                 0.0951                -0.0529
 Delta2 Fr= 1--     -0.2788                 0.0334                -0.0050
 Raman1 Fr= 1--      17.543                  0.201                  1.282
 ROA1   Fr= 1--      47.452                 10.195                 -5.242
 CID1   Fr= 1--       2.705                 50.656                 -4.089
 Raman2 Fr= 1--       6.018                  0.070                  0.145
 ROA2   Fr= 1--      16.324                  2.014                 -1.231
 CID2   Fr= 1--       2.712                 28.907                 -8.477
 Raman3 Fr= 1--      12.036                  0.139                  0.290
 ROA3   Fr= 1--      47.452                 10.195                 -5.242
 CID3   Fr= 1--       3.943                 73.165                -18.046
 RC180  Fr= 1--       0.372                  0.385                 -0.547
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.03  -0.08     0.02   0.00  -0.02     0.00  -0.01   0.00
     2   6     0.02   0.20   0.15    -0.01   0.00   0.01     0.00   0.04   0.02
     3   6    -0.05  -0.14  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.01   0.03  -0.03     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00  -0.06   0.03    -0.01  -0.00   0.01    -0.00  -0.00  -0.00
     6   6     0.02  -0.08  -0.07     0.00  -0.00  -0.00     0.01  -0.00  -0.00
     7   6     0.01   0.03   0.01     0.00  -0.00  -0.01     0.00   0.00   0.00
     8   6    -0.01  -0.04  -0.05     0.00  -0.00  -0.01    -0.02  -0.13  -0.06
     9   8    -0.00   0.01   0.01    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    10   6     0.03   0.01   0.02    -0.10   0.02   0.04    -0.02   0.01   0.01
    11   6     0.02   0.01   0.03    -0.00  -0.05   0.08    -0.00   0.02  -0.03
    12   1     0.26   0.62  -0.11     0.03   0.01   0.01     0.00   0.01  -0.01
    13   1     0.15   0.43  -0.05    -0.02   0.01   0.04    -0.00  -0.01  -0.00
    14   1    -0.01   0.01  -0.02    -0.03  -0.02   0.02    -0.01  -0.01  -0.01
    15   1     0.04   0.03   0.05     0.01  -0.03  -0.01    -0.00  -0.01  -0.01
    16   1     0.05  -0.04   0.00    -0.02   0.04   0.00     0.00  -0.03  -0.00
    17   1    -0.06  -0.02  -0.02    -0.03  -0.00   0.06     0.00  -0.00  -0.02
    18   1    -0.10   0.23  -0.11     0.01   0.01  -0.02    -0.00  -0.01  -0.00
    19   1    -0.05  -0.15   0.02    -0.03   0.01   0.04    -0.14   0.54   0.12
    20   1    -0.01  -0.04  -0.04    -0.02   0.01   0.00     0.07   0.34   0.36
    21   1    -0.02  -0.18   0.02     0.02   0.01   0.02     0.31   0.43   0.13
    22   1    -0.12  -0.05  -0.03     0.37  -0.16   0.01     0.07  -0.03  -0.00
    23   1    -0.13   0.00  -0.07     0.42   0.09  -0.11     0.10   0.02   0.01
    24   1     0.03   0.02   0.00     0.30  -0.18  -0.29     0.07  -0.08  -0.06
    25   1    -0.03  -0.05  -0.07    -0.13   0.19  -0.25     0.04  -0.07   0.09
    26   1     0.00  -0.01   0.04     0.11   0.28  -0.22    -0.02  -0.15   0.08
    27   1    -0.08   0.01  -0.08     0.01   0.05  -0.37     0.03  -0.01   0.15
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1430.9992              1462.3304              1485.5140
 Red. masses --      1.2098                 1.0861                 1.0531
 Frc consts  --      1.4596                 1.3684                 1.3692
 IR Inten    --     11.1322                12.1873                 3.9119
 RamAct Fr= 1--      0.3012                 7.4035                 2.4141
  Dep-P Fr= 1--      0.2056                 0.6633                 0.7499
  Dep-U Fr= 1--      0.3411                 0.7976                 0.8571
 Alpha2 Fr= 1--      0.0040                 0.0114                 0.0000
 Beta2  Fr= 1--      0.0171                 0.9842                 0.3449
 AlphaG Fr= 1--     -0.0116                 0.0193                 0.0003
 Gamma2 Fr= 1--     -0.0729                 1.0812                 0.6241
 Delta2 Fr= 1--      0.0013                 0.8629                 0.0769
 Raman1 Fr= 1--       1.205                 29.614                  9.657
 ROA1   Fr= 1--      -6.955                131.411                 62.378
 CID1   Fr= 1--      -5.773                  4.437                  6.460
 Raman2 Fr= 1--       0.205                 11.810                  4.138
 ROA2   Fr= 1--      -1.760                 19.046                 14.364
 CID2   Fr= 1--      -8.567                  1.613                  3.471
 Raman3 Fr= 1--       0.411                 23.620                  8.277
 ROA3   Fr= 1--      -6.955                131.411                 62.378
 CID3   Fr= 1--     -16.927                  5.564                  7.537
 RC180  Fr= 1--      -0.318                  0.595                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.01   0.01
     2   6     0.00  -0.00   0.01    -0.00   0.01   0.01    -0.00  -0.00   0.01
     3   6    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00    -0.01  -0.01  -0.03
     4   6     0.00   0.01  -0.00     0.01   0.02   0.00    -0.01  -0.01   0.00
     5   6     0.01  -0.01   0.00    -0.01  -0.01  -0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.01     0.00  -0.01  -0.01     0.00   0.00  -0.00
     7   6    -0.01   0.01   0.01     0.05  -0.04  -0.05     0.00  -0.00  -0.00
     8   6     0.00   0.04   0.01    -0.00   0.00   0.00    -0.00  -0.01   0.02
     9   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.08   0.02   0.03    -0.00   0.00   0.01    -0.00  -0.03   0.01
    11   6    -0.00   0.05  -0.08    -0.01   0.00  -0.02    -0.01   0.02   0.01
    12   1     0.04   0.01   0.03     0.01   0.01   0.01     0.20  -0.03   0.18
    13   1    -0.01   0.04   0.03    -0.00   0.01   0.01    -0.12   0.09   0.25
    14   1    -0.03  -0.01  -0.01    -0.11  -0.06   0.02     0.10   0.06  -0.05
    15   1     0.01  -0.02   0.01     0.03  -0.12  -0.01    -0.03   0.12  -0.02
    16   1     0.07  -0.09  -0.00    -0.36   0.54   0.03    -0.03   0.03   0.00
    17   1     0.01  -0.01  -0.12    -0.18   0.02   0.63    -0.01   0.00   0.04
    18   1    -0.03   0.04  -0.01    -0.01   0.02  -0.02     0.00   0.01  -0.01
    19   1     0.04  -0.15  -0.04     0.01  -0.01  -0.02     0.15   0.01  -0.22
    20   1     0.02  -0.12  -0.12     0.02  -0.00  -0.00     0.04   0.13   0.14
    21   1    -0.09  -0.17  -0.01    -0.02  -0.03  -0.01    -0.14   0.04  -0.21
    22   1     0.30  -0.12   0.00     0.01  -0.06  -0.03     0.29   0.19   0.16
    23   1     0.34   0.07  -0.06     0.01   0.02  -0.08    -0.26  -0.05  -0.01
    24   1     0.24  -0.16  -0.23    -0.01   0.01   0.01     0.06   0.37  -0.25
    25   1     0.13  -0.23   0.26     0.06   0.11   0.11    -0.12  -0.09  -0.22
    26   1    -0.09  -0.34   0.22    -0.06  -0.13   0.11     0.23  -0.16  -0.15
    27   1     0.01  -0.05   0.42     0.16   0.02   0.04     0.07  -0.00   0.16
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1489.5300              1493.7232              1498.9674
 Red. masses --      1.0481                 1.0511                 1.0556
 Frc consts  --      1.3700                 1.3817                 1.3975
 IR Inten    --      6.7730                 5.9657                 4.0733
 RamAct Fr= 1--      7.9915                 3.9032                 1.6418
  Dep-P Fr= 1--      0.7381                 0.6939                 0.7439
  Dep-U Fr= 1--      0.8493                 0.8193                 0.8531
 Alpha2 Fr= 1--      0.0016                 0.0038                 0.0002
 Beta2  Fr= 1--      1.1312                 0.5330                 0.2334
 AlphaG Fr= 1--      0.0064                 0.0040                -0.0017
 Gamma2 Fr= 1--     -2.2033                 0.5533                -1.8887
 Delta2 Fr= 1--     -0.8202                 0.1285                -0.7063
 Raman1 Fr= 1--      31.966                 15.613                  6.567
 ROA1   Fr= 1--    -237.763                 57.232               -203.919
 CID1   Fr= 1--      -7.438                  3.666                -31.052
 Raman2 Fr= 1--      13.575                  6.396                  2.801
 ROA2   Fr= 1--     -46.317                 12.252                -39.679
 CID2   Fr= 1--      -3.412                  1.916                -14.164
 Raman3 Fr= 1--      27.150                 12.792                  5.603
 ROA3   Fr= 1--    -237.763                 57.232               -203.919
 CID3   Fr= 1--      -8.757                  4.474                -36.397
 RC180  Fr= 1--       0.699                  0.639                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.01     0.00  -0.00  -0.01
     2   6    -0.00   0.00  -0.02    -0.02   0.00  -0.01    -0.02   0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.01    -0.00  -0.01  -0.03
     4   6    -0.00  -0.01   0.00     0.01   0.01  -0.01    -0.01  -0.03   0.01
     5   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.01  -0.01  -0.01    -0.01   0.00   0.00     0.00   0.00  -0.00
     8   6     0.00   0.02  -0.03    -0.04   0.02  -0.01    -0.03  -0.00   0.01
     9   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6    -0.01  -0.01  -0.03     0.01   0.00   0.02    -0.00   0.01  -0.02
    11   6     0.01   0.02   0.01    -0.02   0.00   0.01     0.01  -0.02  -0.01
    12   1     0.04  -0.01   0.05    -0.06   0.02  -0.06     0.20  -0.02   0.17
    13   1    -0.03   0.01   0.06     0.02  -0.05  -0.06    -0.11   0.06   0.24
    14   1     0.10   0.05  -0.05    -0.10  -0.05   0.05     0.23   0.12  -0.10
    15   1    -0.03   0.11  -0.01     0.03  -0.10   0.02    -0.08   0.26  -0.04
    16   1    -0.08   0.12   0.01     0.04  -0.06  -0.00    -0.01   0.02   0.00
    17   1    -0.04   0.01   0.13     0.03   0.00  -0.06    -0.01  -0.00   0.03
    18   1    -0.01  -0.00  -0.00     0.01  -0.01   0.00    -0.01   0.01  -0.00
    19   1    -0.24   0.04   0.33     0.01   0.33  -0.06     0.16   0.23  -0.26
    20   1     0.01  -0.23  -0.23     0.51  -0.17  -0.07     0.39   0.00   0.08
    21   1     0.24  -0.11   0.38     0.06  -0.36   0.31    -0.11  -0.22   0.00
    22   1     0.01   0.31   0.16     0.02  -0.17  -0.08    -0.16   0.10   0.01
    23   1    -0.02  -0.06   0.33    -0.06   0.03  -0.23     0.14  -0.02   0.25
    24   1     0.11  -0.04  -0.13    -0.09   0.11   0.06     0.05  -0.25   0.05
    25   1    -0.06  -0.27  -0.11    -0.10   0.08  -0.18     0.10   0.11   0.18
    26   1     0.11   0.04  -0.11     0.19  -0.18  -0.11    -0.19   0.14   0.13
    27   1    -0.21  -0.05   0.11     0.21   0.03   0.10    -0.03   0.01  -0.17
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1504.1911              1513.6522              1518.6476
 Red. masses --      1.0554                 1.0668                 1.0677
 Frc consts  --      1.4069                 1.4401                 1.4508
 IR Inten    --      3.8045                 0.4354                 6.1576
 RamAct Fr= 1--      2.0709                 5.0163                 1.5318
  Dep-P Fr= 1--      0.7452                 0.6470                 0.6778
  Dep-U Fr= 1--      0.8540                 0.7856                 0.8080
 Alpha2 Fr= 1--      0.0002                 0.0093                 0.0020
 Beta2  Fr= 1--      0.2948                 0.6568                 0.2063
 AlphaG Fr= 1--      0.0046                -0.0113                 0.0089
 Gamma2 Fr= 1--      0.1400                 1.3845                 0.6229
 Delta2 Fr= 1--     -0.0507                 0.7303                 0.3005
 Raman1 Fr= 1--       8.284                 20.065                  6.127
 ROA1   Fr= 1--      11.816                156.285                 69.414
 CID1   Fr= 1--       1.426                  7.789                 11.329
 Raman2 Fr= 1--       3.537                  7.882                  2.475
 ROA2   Fr= 1--       3.765                 27.386                 12.546
 CID2   Fr= 1--       1.064                  3.474                  5.069
 Raman3 Fr= 1--       7.074                 15.764                  4.950
 ROA3   Fr= 1--      11.816                156.285                 69.414
 CID3   Fr= 1--       1.670                  9.914                 14.022
 RC180  Fr= 1--       0.708                  0.571                  0.616
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.02   0.01    -0.03   0.02  -0.01     0.01   0.03   0.01
     2   6     0.01  -0.00  -0.02     0.01   0.00   0.00     0.00  -0.01  -0.01
     3   6    -0.01  -0.01  -0.03    -0.00  -0.00   0.01    -0.01  -0.00  -0.05
     4   6    -0.01  -0.01  -0.00    -0.01  -0.03   0.01     0.00   0.01  -0.01
     5   6    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.01   0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
     7   6    -0.01   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.01   0.01  -0.02     0.01   0.00  -0.00     0.01   0.00  -0.00
     9   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.00  -0.01   0.02     0.01   0.01  -0.02     0.01   0.02   0.01
    11   6    -0.01  -0.02  -0.02    -0.04  -0.00   0.02     0.01   0.02   0.01
    12   1     0.20  -0.06   0.20    -0.02   0.00  -0.01     0.31  -0.08   0.29
    13   1    -0.11   0.09   0.25     0.02   0.00  -0.03    -0.18   0.12   0.38
    14   1     0.13   0.07  -0.05     0.21   0.11  -0.10    -0.09  -0.04   0.04
    15   1    -0.04   0.16  -0.02    -0.07   0.24  -0.05     0.03  -0.10   0.01
    16   1     0.05  -0.07  -0.01    -0.00  -0.03  -0.00    -0.01   0.03   0.00
    17   1     0.02  -0.00  -0.08    -0.00  -0.01  -0.01    -0.01  -0.00   0.02
    18   1     0.01   0.00  -0.01    -0.02   0.02  -0.01     0.02  -0.01  -0.01
    19   1    -0.19  -0.05   0.28    -0.04  -0.13   0.07    -0.03  -0.03   0.05
    20   1    -0.14  -0.12  -0.15    -0.17   0.00  -0.03    -0.08   0.01  -0.01
    21   1     0.18   0.04   0.21     0.01   0.09  -0.04     0.03   0.06  -0.00
    22   1     0.15  -0.12  -0.03    -0.22   0.01  -0.05    -0.22  -0.30  -0.20
    23   1    -0.17   0.01  -0.25     0.19   0.00   0.16     0.14   0.06  -0.21
    24   1    -0.06   0.25  -0.04     0.02  -0.29   0.12    -0.15  -0.17   0.27
    25   1     0.11   0.32   0.20    -0.12   0.27  -0.23    -0.08  -0.27  -0.14
    26   1    -0.19  -0.02   0.18     0.24  -0.37  -0.08     0.14   0.04  -0.15
    27   1     0.24   0.07  -0.16     0.47   0.07   0.16    -0.20  -0.06   0.14
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1527.4122              1817.0273              3033.6406
 Red. masses --      1.0784                12.5045                 1.0390
 Frc consts  --      1.4823                24.3243                 5.6335
 IR Inten    --      6.1613               250.4366                12.7168
 RamAct Fr= 1--      5.1494                20.2292                 7.4741
  Dep-P Fr= 1--      0.6441                 0.5565                 0.7293
  Dep-U Fr= 1--      0.7835                 0.7150                 0.8435
 Alpha2 Fr= 1--      0.0098                 0.0745                 0.0026
 Beta2  Fr= 1--      0.6724                 2.4108                 1.0507
 AlphaG Fr= 1--      0.0034                 0.0927                -0.0172
 Gamma2 Fr= 1--     -1.5283                 0.8637                 1.5172
 Delta2 Fr= 1--     -0.7130                 1.1288                 0.5051
 Raman1 Fr= 1--      20.597                 80.917                 29.896
 ROA1   Fr= 1--    -169.532                119.034                161.815
 CID1   Fr= 1--      -8.231                  1.471                  5.413
 Raman2 Fr= 1--       8.069                 28.930                 12.608
 ROA2   Fr= 1--     -30.975                 11.698                 32.373
 CID2   Fr= 1--      -3.839                  0.404                  2.568
 Raman3 Fr= 1--      16.138                 57.859                 25.217
 ROA3   Fr= 1--    -169.532                119.034                161.815
 CID3   Fr= 1--     -10.505                  2.057                  6.417
 RC180  Fr= 1--       0.567                  0.430                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.01    -0.03  -0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.03  -0.01   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.03    -0.01  -0.01   0.01    -0.00   0.00   0.00
     4   6    -0.02  -0.05   0.03     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.01  -0.01    -0.02  -0.01  -0.01     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.77   0.26  -0.01     0.00  -0.00   0.00
     7   6     0.01  -0.00  -0.01    -0.04  -0.01   0.00    -0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00     0.01   0.01   0.00    -0.00   0.00   0.00
     9   8     0.00   0.00   0.00    -0.50  -0.17   0.01     0.00  -0.00   0.00
    10   6    -0.00   0.01   0.03     0.00  -0.00   0.00     0.04  -0.01   0.00
    11   6     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.01   0.02  -0.03
    12   1    -0.16   0.03  -0.15    -0.03   0.06  -0.04     0.01  -0.01  -0.01
    13   1     0.09  -0.07  -0.20     0.04   0.02  -0.04    -0.01   0.00  -0.01
    14   1     0.41   0.21  -0.20     0.01   0.01   0.01    -0.01   0.01  -0.00
    15   1    -0.15   0.48  -0.08    -0.01   0.01  -0.01     0.02   0.00  -0.01
    16   1    -0.07   0.09   0.00     0.05   0.07   0.02     0.00   0.01  -0.04
    17   1    -0.04  -0.00   0.11     0.08   0.06   0.04     0.01  -0.01   0.00
    18   1    -0.01  -0.02   0.01    -0.04  -0.02  -0.01     0.00   0.00   0.00
    19   1     0.01   0.01  -0.02     0.05  -0.01  -0.03    -0.01  -0.00  -0.01
    20   1     0.01   0.01   0.01     0.04  -0.01  -0.03     0.00   0.00  -0.00
    21   1    -0.01  -0.00  -0.01    -0.06  -0.10  -0.03     0.02  -0.01  -0.02
    22   1     0.08  -0.28  -0.12    -0.00   0.00   0.00    -0.02  -0.11   0.21
    23   1     0.00   0.06  -0.33     0.00   0.00   0.00    -0.04   0.41   0.06
    24   1    -0.08   0.10   0.06     0.01  -0.00  -0.01    -0.36  -0.16  -0.33
    25   1    -0.01  -0.22  -0.02     0.01   0.03   0.00    -0.27   0.02   0.12
    26   1     0.02   0.09  -0.06    -0.02  -0.02   0.02     0.34   0.17   0.33
    27   1    -0.22  -0.05   0.06     0.02   0.00   0.00     0.08  -0.39  -0.08
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3037.2951              3040.4579              3056.8487
 Red. masses --      1.0368                 1.0381                 1.0593
 Frc consts  --      5.6353                 5.6540                 5.8321
 IR Inten    --     20.1726                40.3743                25.9292
 RamAct Fr= 1--     11.3761               373.8499                68.9732
  Dep-P Fr= 1--      0.6163                 0.0131                 0.3346
  Dep-U Fr= 1--      0.7626                 0.0258                 0.5014
 Alpha2 Fr= 1--      0.0279                 8.0574                 0.6362
 Beta2  Fr= 1--      1.4459                 1.6098                 5.7637
 AlphaG Fr= 1--      0.0284                 0.3576                -0.4787
 Gamma2 Fr= 1--      1.9320                 0.3937                 3.4320
 Delta2 Fr= 1--      1.0787                -1.2125                -3.7313
 Raman1 Fr= 1--      45.504               1495.400                275.893
 ROA1   Fr= 1--     219.987                 -1.008                210.076
 CID1   Fr= 1--       4.834                 -0.001                  0.761
 Raman2 Fr= 1--      17.351                 19.318                 69.164
 ROA2   Fr= 1--      37.737                 19.148                112.219
 CID2   Fr= 1--       2.175                  0.991                  1.623
 Raman3 Fr= 1--      34.703                 38.636                138.328
 ROA3   Fr= 1--     219.987                 -1.008                210.076
 CID3   Fr= 1--       6.339                 -0.026                  1.519
 RC180  Fr= 1--       0.525                 -0.948                  0.003
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.01  -0.01  -0.06
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.03   0.01
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.04   0.02     0.00   0.03   0.01    -0.00  -0.00  -0.00
     9   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6     0.02  -0.01   0.00    -0.03   0.01  -0.00     0.00  -0.00   0.00
    11   6     0.01  -0.01   0.02    -0.01   0.01  -0.02    -0.00   0.00   0.00
    12   1    -0.02   0.01   0.02    -0.05   0.03   0.05    -0.39   0.22   0.42
    13   1     0.02  -0.01   0.01     0.05  -0.01   0.02     0.51  -0.16   0.25
    14   1    -0.01   0.01  -0.00     0.01  -0.01   0.00    -0.22   0.33  -0.03
    15   1     0.02   0.00  -0.01    -0.02  -0.00   0.01     0.29   0.05  -0.10
    16   1    -0.00  -0.00   0.03     0.00   0.01  -0.04    -0.00  -0.00   0.01
    17   1    -0.01   0.01  -0.00     0.01  -0.02   0.01     0.01  -0.03   0.01
    18   1     0.01   0.01   0.01    -0.02  -0.01  -0.02    -0.03  -0.03  -0.03
    19   1    -0.33   0.00  -0.22    -0.28   0.00  -0.18     0.03   0.00   0.02
    20   1    -0.06  -0.27   0.32    -0.04  -0.22   0.26     0.01   0.03  -0.04
    21   1     0.39  -0.14  -0.28     0.32  -0.12  -0.23    -0.03   0.01   0.02
    22   1    -0.02  -0.07   0.13     0.02   0.09  -0.17    -0.00  -0.00   0.00
    23   1    -0.03   0.26   0.04     0.03  -0.30  -0.05    -0.00   0.02   0.00
    24   1    -0.22  -0.10  -0.20     0.30   0.13   0.27    -0.02  -0.01  -0.01
    25   1     0.18  -0.01  -0.08    -0.22   0.02   0.10     0.01  -0.00  -0.00
    26   1    -0.21  -0.11  -0.21     0.26   0.13   0.25    -0.01  -0.00  -0.01
    27   1    -0.05   0.26   0.05     0.05  -0.27  -0.06    -0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3063.1629              3065.3348              3084.3553
 Red. masses --      1.0612                 1.0625                 1.1007
 Frc consts  --      5.8665                 5.8822                 6.1693
 IR Inten    --     14.2941                29.8651                 9.9683
 RamAct Fr= 1--     58.9863               239.2550                87.1855
  Dep-P Fr= 1--      0.2063                 0.0535                 0.1923
  Dep-U Fr= 1--      0.3421                 0.1016                 0.3225
 Alpha2 Fr= 1--      0.7877                 4.6868                 1.2084
 Beta2  Fr= 1--      3.3631                 4.0497                 4.6865
 AlphaG Fr= 1--      0.1333                -0.7249                -0.6960
 Gamma2 Fr= 1--     -3.1288                -5.9483               -15.6107
 Delta2 Fr= 1--     -3.7169                -0.7505               -11.2060
 Raman1 Fr= 1--     235.945                957.020                348.742
 ROA1   Fr= 1--    -419.308               -595.053              -1857.215
 CID1   Fr= 1--      -1.777                 -0.622                 -5.325
 Raman2 Fr= 1--      40.357                 48.596                 56.238
 ROA2   Fr= 1--     -45.356               -136.755               -285.008
 CID2   Fr= 1--      -1.124                 -2.814                 -5.068
 Raman3 Fr= 1--      80.714                 97.192                112.477
 ROA3   Fr= 1--    -419.308               -595.053              -1857.215
 CID3   Fr= 1--      -5.195                 -6.122                -16.512
 RC180  Fr= 1--      -0.316                 -0.797                 -0.355
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   6     0.00  -0.00  -0.01     0.00   0.01   0.03    -0.05   0.02   0.01
     4   6    -0.00   0.02  -0.00    -0.01  -0.05   0.02     0.05  -0.02  -0.01
     5   6     0.01   0.01   0.01     0.02   0.01   0.01    -0.03  -0.02  -0.03
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6     0.03  -0.04  -0.04     0.01  -0.01  -0.01     0.01  -0.01  -0.00
     8   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     9   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6     0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.00  -0.00  -0.00
    11   6    -0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    12   1    -0.08   0.04   0.08     0.24  -0.14  -0.26     0.27  -0.16  -0.32
    13   1     0.07  -0.02   0.03    -0.26   0.08  -0.12     0.37  -0.11   0.20
    14   1     0.11  -0.18   0.01    -0.34   0.51  -0.04    -0.21   0.34  -0.04
    15   1    -0.09  -0.01   0.03     0.46   0.08  -0.16    -0.34  -0.07   0.12
    16   1    -0.05  -0.12   0.60    -0.02  -0.03   0.17    -0.01  -0.02   0.08
    17   1    -0.35   0.60  -0.17    -0.06   0.11  -0.03    -0.07   0.12  -0.03
    18   1    -0.09  -0.07  -0.09    -0.18  -0.14  -0.17     0.32   0.25   0.31
    19   1     0.00   0.00   0.00    -0.01  -0.00  -0.01    -0.03   0.00  -0.02
    20   1     0.00   0.00  -0.00    -0.00  -0.02   0.02    -0.00  -0.01   0.01
    21   1     0.00  -0.00  -0.00     0.02  -0.01  -0.01    -0.02   0.00   0.01
    22   1     0.00   0.00  -0.01    -0.01  -0.02   0.03     0.00   0.01  -0.01
    23   1    -0.00   0.01   0.00     0.00  -0.02  -0.01    -0.00   0.02   0.00
    24   1    -0.00  -0.00  -0.00     0.05   0.02   0.04     0.03   0.01   0.02
    25   1     0.04  -0.00  -0.02     0.01  -0.00  -0.01    -0.01   0.00   0.01
    26   1     0.05   0.03   0.05     0.02   0.01   0.02    -0.03  -0.01  -0.03
    27   1     0.01  -0.04  -0.01    -0.00  -0.01  -0.00     0.02  -0.08  -0.02
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3084.5337              3087.8871              3091.7323
 Red. masses --      1.1005                 1.0917                 1.0996
 Frc consts  --      6.1693                 6.1329                 6.1926
 IR Inten    --      2.0292                24.8164                53.5781
 RamAct Fr= 1--     16.3485               197.3291               105.6765
  Dep-P Fr= 1--      0.5525                 0.1047                 0.7468
  Dep-U Fr= 1--      0.7117                 0.1896                 0.8550
 Alpha2 Fr= 1--      0.0616                 3.4149                 0.0058
 Beta2  Fr= 1--      1.9393                 6.2367                15.0593
 AlphaG Fr= 1--     -0.0090                 1.4721                -0.0398
 Gamma2 Fr= 1--     -1.1782                30.5539                -2.4329
 Delta2 Fr= 1--     -2.9503                13.6497                 0.2991
 Raman1 Fr= 1--      65.394                789.316                422.706
 ROA1   Fr= 1--    -207.520               3369.962               -223.983
 CID1   Fr= 1--      -3.173                  4.269                 -0.530
 Raman2 Fr= 1--      23.271                 74.841                180.712
 ROA2   Fr= 1--      -4.675                624.096                -60.782
 CID2   Fr= 1--      -0.201                  8.339                 -0.336
 Raman3 Fr= 1--      46.543                149.682                361.424
 ROA3   Fr= 1--    -207.520               3369.962               -223.983
 CID3   Fr= 1--      -4.459                 22.514                 -0.620
 RC180  Fr= 1--       0.423                 -0.621                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00     0.04  -0.02  -0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00  -0.00    -0.03  -0.01   0.01     0.00  -0.00   0.00
     5   6     0.00   0.00   0.00    -0.04  -0.03  -0.04    -0.01  -0.00  -0.01
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
     8   6    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.01
     9   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6    -0.02  -0.06  -0.04    -0.00   0.00  -0.00    -0.01  -0.04  -0.02
    11   6     0.01   0.04   0.02     0.00   0.01   0.00    -0.03  -0.06  -0.04
    12   1    -0.02   0.01   0.02    -0.16   0.09   0.19    -0.00   0.00   0.00
    13   1    -0.02   0.01  -0.01    -0.33   0.10  -0.17     0.01  -0.00   0.00
    14   1     0.02  -0.03   0.00    -0.01   0.00   0.00    -0.01   0.01  -0.00
    15   1     0.00   0.00  -0.00     0.34   0.06  -0.12     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    17   1     0.01  -0.02   0.00    -0.10   0.17  -0.04     0.01  -0.01   0.00
    18   1    -0.04  -0.03  -0.04     0.48   0.37   0.47     0.07   0.06   0.07
    19   1     0.03  -0.00   0.02    -0.01  -0.00  -0.00     0.08   0.00   0.05
    20   1     0.01   0.07  -0.08     0.00   0.02  -0.02    -0.01  -0.05   0.05
    21   1     0.07  -0.03  -0.05     0.03  -0.01  -0.02    -0.02   0.01   0.01
    22   1    -0.01  -0.05   0.05    -0.00   0.00  -0.00    -0.01  -0.03   0.04
    23   1    -0.08   0.64   0.09     0.01  -0.04  -0.01    -0.05   0.38   0.05
    24   1     0.39   0.15   0.34     0.01   0.00   0.01     0.23   0.09   0.20
    25   1    -0.02   0.01   0.02    -0.03   0.00   0.02     0.07  -0.02  -0.04
    26   1    -0.22  -0.10  -0.21    -0.03  -0.01  -0.03     0.37   0.17   0.36
    27   1     0.08  -0.36  -0.07     0.02  -0.07  -0.01    -0.13   0.61   0.12
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3098.4690              3100.5104              3103.7955
 Red. masses --      1.1038                 1.1016                 1.1014
 Frc consts  --      6.2437                 6.2392                 6.2514
 IR Inten    --      2.0379                14.7789                 9.8439
 RamAct Fr= 1--     38.8599                68.5004                77.7645
  Dep-P Fr= 1--      0.7363                 0.6882                 0.7416
  Dep-U Fr= 1--      0.8481                 0.8153                 0.8516
 Alpha2 Fr= 1--      0.0091                 0.0743                 0.0111
 Beta2  Fr= 1--      5.4931                 9.3084                11.0376
 AlphaG Fr= 1--     -0.0651                -0.1117                -0.0791
 Gamma2 Fr= 1--    -15.1859               -18.1790                17.4628
 Delta2 Fr= 1--      2.1003                -5.1517                 9.4085
 Raman1 Fr= 1--     155.439                274.001                311.058
 ROA1   Fr= 1--   -1390.633              -1910.043               1977.498
 CID1   Fr= 1--      -8.946                 -6.971                  6.357
 Raman2 Fr= 1--      65.917                111.700                132.451
 ROA2   Fr= 1--    -381.263               -395.084                343.839
 CID2   Fr= 1--      -5.784                 -3.537                  2.596
 Raman3 Fr= 1--     131.835                223.401                264.903
 ROA3   Fr= 1--   -1390.633              -1910.043               1977.498
 CID3   Fr= 1--     -10.548                 -8.550                  7.465
 RC180  Fr= 1--       0.696                  0.631                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6     0.02  -0.01  -0.00    -0.00   0.00   0.00     0.02  -0.01  -0.00
     4   6     0.03  -0.01  -0.01     0.01  -0.00  -0.00     0.02  -0.01  -0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.02   0.05  -0.06     0.00  -0.01   0.02     0.00  -0.00   0.00
     8   6    -0.01  -0.00   0.02    -0.08  -0.01   0.04    -0.04   0.03  -0.07
     9   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6     0.00  -0.00   0.01     0.00   0.01   0.01     0.00  -0.00   0.01
    11   6    -0.03   0.01   0.01     0.01  -0.01  -0.01     0.01   0.01   0.00
    12   1    -0.10   0.06   0.12     0.01  -0.00  -0.01    -0.08   0.05   0.10
    13   1    -0.18   0.05  -0.09     0.01  -0.00   0.01    -0.11   0.03  -0.06
    14   1    -0.09   0.15  -0.01    -0.03   0.05  -0.01    -0.08   0.13  -0.01
    15   1    -0.22  -0.05   0.08    -0.07  -0.01   0.02    -0.16  -0.03   0.06
    16   1    -0.06  -0.10   0.59     0.02   0.03  -0.18     0.00   0.00  -0.01
    17   1     0.26  -0.45   0.10    -0.08   0.14  -0.03    -0.01   0.02  -0.01
    18   1     0.05   0.04   0.05    -0.03  -0.02  -0.03    -0.02  -0.01  -0.01
    19   1     0.02  -0.00   0.02     0.32   0.00   0.24     0.58   0.01   0.38
    20   1     0.02   0.11  -0.12     0.05   0.32  -0.36    -0.09  -0.41   0.47
    21   1     0.13  -0.05  -0.09     0.55  -0.22  -0.40    -0.00   0.00  -0.02
    22   1     0.01   0.04  -0.08     0.00   0.01  -0.02     0.01   0.03  -0.06
    23   1     0.00  -0.02  -0.00     0.01  -0.08  -0.01    -0.00   0.01   0.00
    24   1    -0.03  -0.01  -0.03    -0.04  -0.02  -0.04    -0.02  -0.01  -0.02
    25   1     0.28  -0.02  -0.13    -0.08   0.00   0.03    -0.06   0.01   0.03
    26   1     0.07   0.04   0.08     0.01   0.00   0.01    -0.06  -0.03  -0.06
    27   1     0.01  -0.11  -0.02    -0.02   0.11   0.02     0.02  -0.07  -0.01
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3105.3045              3113.1033              3127.4724
 Red. masses --      1.1041                 1.0986                 1.0960
 Frc consts  --      6.2730                 6.2728                 6.3158
 IR Inten    --     70.7487                20.2371                26.3282
 RamAct Fr= 1--     77.5388                50.9039                54.2506
  Dep-P Fr= 1--      0.7405                 0.6453                 0.5366
  Dep-U Fr= 1--      0.8509                 0.7844                 0.6984
 Alpha2 Fr= 1--      0.0125                 0.0960                 0.2232
 Beta2  Fr= 1--     10.9964                 6.6550                 6.3150
 AlphaG Fr= 1--     -0.0380                -0.1827                -0.1301
 Gamma2 Fr= 1--    -13.2119                23.6804                -2.7386
 Delta2 Fr= 1--     -7.5133                 7.0985                 0.3209
 Raman1 Fr= 1--     310.155                203.615                217.002
 ROA1   Fr= 1--   -1508.772               2500.465               -252.637
 CID1   Fr= 1--      -4.865                 12.280                 -1.164
 Raman2 Fr= 1--     131.957                 79.860                 75.781
 ROA2   Fr= 1--    -256.980                511.541                -68.293
 CID2   Fr= 1--      -1.947                  6.405                 -0.901
 Raman3 Fr= 1--     263.913                159.720                151.561
 ROA3   Fr= 1--   -1508.772               2500.465               -252.637
 CID3   Fr= 1--      -5.717                 15.655                 -1.667
 RC180  Fr= 1--       0.702                  0.569                  0.397
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.04   0.02   0.01    -0.00   0.00   0.00     0.01  -0.00  -0.00
     4   6    -0.06   0.02   0.01    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
     5   6    -0.01  -0.00  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.01   0.02  -0.02     0.00  -0.02   0.03    -0.00   0.00  -0.00
     8   6    -0.03   0.01  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.05  -0.07
    11   6    -0.01   0.01   0.00    -0.08   0.02   0.02    -0.00   0.00   0.00
    12   1     0.21  -0.12  -0.24     0.00  -0.00  -0.01    -0.06   0.04   0.07
    13   1     0.32  -0.10   0.17     0.01  -0.00   0.00    -0.05   0.01  -0.02
    14   1     0.22  -0.36   0.04    -0.00   0.00  -0.00    -0.03   0.05  -0.01
    15   1     0.47   0.10  -0.17     0.00   0.00  -0.00    -0.14  -0.03   0.05
    16   1    -0.03  -0.04   0.24     0.03   0.06  -0.34    -0.00  -0.00   0.00
    17   1     0.12  -0.20   0.05    -0.09   0.16  -0.04     0.00  -0.00   0.00
    18   1     0.08   0.06   0.08    -0.02  -0.01  -0.01    -0.01  -0.00  -0.01
    19   1     0.24   0.01   0.16     0.02   0.00   0.02     0.01   0.00   0.01
    20   1    -0.02  -0.08   0.09    -0.00  -0.02   0.02    -0.00  -0.01   0.01
    21   1     0.11  -0.04  -0.09     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    22   1    -0.02  -0.06   0.12     0.00   0.01  -0.02    -0.12  -0.43   0.80
    23   1     0.01  -0.08  -0.02     0.00  -0.01  -0.00     0.03  -0.25  -0.06
    24   1     0.02   0.01   0.01    -0.00  -0.00  -0.00     0.14   0.07   0.11
    25   1     0.10  -0.01  -0.05     0.75  -0.05  -0.35     0.01  -0.00  -0.01
    26   1     0.01   0.01   0.01     0.15   0.09   0.17    -0.00   0.00   0.00
    27   1     0.01  -0.08  -0.01     0.04  -0.28  -0.05     0.00  -0.02  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1242.481721522.918951641.96827
           X            0.99901  -0.04146   0.01640
           Y            0.04144   0.99914   0.00175
           Z           -0.01646  -0.00107   0.99986
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06971     0.05687     0.05275
 Rotational constants (GHZ):           1.45253     1.18505     1.09913
 Zero-point vibrational energy     632116.4 (Joules/Mol)
                                  151.07944 (Kcal/Mol)
 Warning -- explicit consideration of  17 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    155.18   242.92   263.98   312.66   323.48
          (Kelvin)            347.99   377.51   417.28   432.82   553.53
                              568.47   598.46   685.53   755.38   806.66
                              829.03   891.38   938.85  1027.76  1087.79
                             1203.12  1241.97  1256.91  1333.29  1358.61
                             1363.64  1381.63  1390.23  1443.05  1485.56
                             1495.93  1521.38  1585.82  1612.14  1655.56
                             1688.21  1715.00  1753.43  1767.28  1796.29
                             1824.67  1835.19  1874.14  1911.03  1921.81
                             1942.56  2028.05  2038.17  2058.89  2103.97
                             2137.32  2143.10  2149.13  2156.68  2164.20
                             2177.81  2185.00  2197.61  2614.30  4364.73
                             4369.99  4374.54  4398.12  4407.21  4410.33
                             4437.70  4437.96  4442.78  4448.31  4458.01
                             4460.94  4465.67  4467.84  4479.06  4499.74
 
 Zero-point correction=                           0.240760 (Hartree/Particle)
 Thermal correction to Energy=                    0.251431
 Thermal correction to Enthalpy=                  0.252375
 Thermal correction to Gibbs Free Energy=         0.206095
 Sum of electronic and zero-point Energies=           -465.910956
 Sum of electronic and thermal Energies=              -465.900285
 Sum of electronic and thermal Enthalpies=            -465.899341
 Sum of electronic and thermal Free Energies=         -465.945621
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  157.775             43.574             97.405
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             29.520
 Vibrational            155.998             37.612             26.916
 Vibration     1          0.606              1.943              3.307
 Vibration     2          0.625              1.881              2.448
 Vibration     3          0.631              1.862              2.293
 Vibration     4          0.646              1.815              1.981
 Vibration     5          0.649              1.803              1.920
 Vibration     6          0.658              1.776              1.789
 Vibration     7          0.670              1.742              1.646
 Vibration     8          0.686              1.692              1.474
 Vibration     9          0.693              1.672              1.412
 Vibration    10          0.754              1.503              1.021
 Vibration    11          0.762              1.481              0.981
 Vibration    12          0.779              1.436              0.906
 Vibration    13          0.833              1.302              0.720
 Vibration    14          0.880              1.195              0.598
 Vibration    15          0.916              1.116              0.523
 Vibration    16          0.933              1.083              0.492
 Vibration    17          0.980              0.991              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.159586D-94        -94.797004       -218.278169
 Total V=0       0.881043D+16         15.944997         36.714712
 Vib (Bot)       0.342966-108       -108.464749       -249.749315
 Vib (Bot)    1  0.189984D+01          0.278717          0.641769
 Vib (Bot)    2  0.119403D+01          0.077016          0.177336
 Vib (Bot)    3  0.109338D+01          0.038772          0.089276
 Vib (Bot)    4  0.911256D+00         -0.040360         -0.092932
 Vib (Bot)    5  0.877989D+00         -0.056511         -0.130121
 Vib (Bot)    6  0.810022D+00         -0.091503         -0.210693
 Vib (Bot)    7  0.739388D+00         -0.131128         -0.301933
 Vib (Bot)    8  0.659368D+00         -0.180872         -0.416473
 Vib (Bot)    9  0.631893D+00         -0.199357         -0.459036
 Vib (Bot)   10  0.468405D+00         -0.329379         -0.758423
 Vib (Bot)   11  0.452715D+00         -0.344175         -0.792492
 Vib (Bot)   12  0.423442D+00         -0.373207         -0.859340
 Vib (Bot)   13  0.352075D+00         -0.453365         -1.043912
 Vib (Bot)   14  0.306028D+00         -0.514239         -1.184079
 Vib (Bot)   15  0.277035D+00         -0.557466         -1.283612
 Vib (Bot)   16  0.265463D+00         -0.575996         -1.326279
 Vib (Bot)   17  0.236160D+00         -0.626794         -1.443248
 Vib (V=0)       0.189344D+03          2.277252          5.243566
 Vib (V=0)    1  0.246453D+01          0.391734          0.902002
 Vib (V=0)    2  0.179449D+01          0.253942          0.584722
 Vib (V=0)    3  0.170228D+01          0.231032          0.531971
 Vib (V=0)    4  0.153942D+01          0.187356          0.431404
 Vib (V=0)    5  0.151038D+01          0.179086          0.412360
 Vib (V=0)    6  0.145191D+01          0.161940          0.372881
 Vib (V=0)    7  0.139258D+01          0.143819          0.331156
 Vib (V=0)    8  0.132751D+01          0.123037          0.283302
 Vib (V=0)    9  0.130578D+01          0.115871          0.266804
 Vib (V=0)   10  0.118513D+01          0.073766          0.169852
 Vib (V=0)   11  0.117450D+01          0.069853          0.160843
 Vib (V=0)   12  0.115521D+01          0.062662          0.144284
 Vib (V=0)   13  0.111152D+01          0.045917          0.105728
 Vib (V=0)   14  0.108622D+01          0.035918          0.082703
 Vib (V=0)   15  0.107162D+01          0.030040          0.069171
 Vib (V=0)   16  0.106610D+01          0.027798          0.064008
 Vib (V=0)   17  0.105297D+01          0.022414          0.051611
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.630974D+06          5.800011         13.355020
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000053041   -0.000024740    0.000009116
      2        6           0.000038176    0.000017183   -0.000001880
      3        6          -0.000044485   -0.000008475    0.000029904
      4        6           0.000003597   -0.000017072   -0.000001263
      5        6           0.000019569   -0.000009345   -0.000013874
      6        6          -0.000009171   -0.000018880    0.000019534
      7        6          -0.000024798    0.000021183    0.000020197
      8        6          -0.000007845    0.000002301   -0.000004714
      9        8           0.000001964   -0.000000422    0.000001435
     10        6           0.000036290    0.000028404   -0.000012594
     11        6           0.000009774   -0.000012449   -0.000010072
     12        1          -0.000017893    0.000010456   -0.000002245
     13        1          -0.000000444    0.000000879    0.000001683
     14        1          -0.000002233   -0.000003836    0.000009747
     15        1           0.000015139   -0.000008782   -0.000005708
     16        1           0.000004858    0.000007463   -0.000007006
     17        1          -0.000000158    0.000002355   -0.000001628
     18        1           0.000002348    0.000003374    0.000001667
     19        1           0.000001018    0.000000757   -0.000001537
     20        1           0.000002679   -0.000002031    0.000006031
     21        1           0.000003668   -0.000001781    0.000002187
     22        1          -0.000003981    0.000030162   -0.000010172
     23        1           0.000012706   -0.000007611   -0.000008590
     24        1          -0.000006746    0.000000813    0.000002245
     25        1           0.000018156   -0.000015419   -0.000011765
     26        1           0.000000227    0.000001199   -0.000004221
     27        1           0.000000626    0.000004314   -0.000006479
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000053041 RMS     0.000014691
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.120153D+03  0.103281D+01 -0.238466D+00
      2   0.103281D+01  0.115595D+03  0.144898D+01
      3  -0.238466D+00  0.144898D+01  0.111809D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.200694D+00 -0.459895D+01  0.165023D+01
      2   0.173102D+01 -0.427528D+01  0.213992D+02
      3   0.515998D+01 -0.173498D+02  0.502270D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.257740D+02 -0.137012D+02  0.112578D+02
      2  -0.162758D+02  0.686404D+01 -0.810420D+01
      3  -0.949817D+01  0.683714D+01 -0.315358D+01
      4  -0.174975D+02  0.339714D+02 -0.169815D+02
      5   0.835706D+01 -0.172691D+02  0.435516D+02
      6  -0.105483D+02 -0.142457D+02 -0.443909D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.127450D+01  0.156493D+01  0.570494D+01  0.101073D+01  0.254720D+01
      2   0.156493D+01  0.279256D+01  0.342730D+00  0.254720D+01 -0.591190D+01
      3   0.570494D+01  0.342730D+00  0.275506D+01  0.609456D-02 -0.162068D+01
                 6             7             8             9            10 
      1   0.609456D-02  0.671502D+01  0.579087D+00  0.207847D+01 -0.423521D+01
      2  -0.162068D+01  0.579087D+00 -0.160168D+01  0.408225D+01 -0.208889D+01
      3   0.324684D+01  0.207847D+01  0.408225D+01 -0.119952D+01 -0.424304D+01
                11            12            13            14            15 
      1  -0.208889D+01 -0.424304D+01 -0.237009D+01  0.757814D+00  0.200864D+01
      2   0.103937D+01  0.222632D+01  0.757814D+00  0.860935D+00  0.311008D+01
      3   0.222632D+01 -0.726301D+00  0.200864D+01  0.311008D+01 -0.370415D+01
                16            17            18            19            20 
      1  -0.418503D+01  0.210041D+01 -0.200074D+01  0.224893D+01 -0.393070D+00
      2   0.210041D+01  0.246101D+01 -0.283800D+01 -0.393070D+00 -0.131465D+01
      3  -0.200074D+01 -0.283800D+01 -0.162435D+01  0.405213D+01 -0.269053D+01
                21            22            23            24            25 
      1   0.405213D+01  0.478448D+00 -0.340356D+00 -0.361719D+01  0.254726D+01
      2  -0.269053D+01 -0.340356D+00  0.499575D+00 -0.247944D+01 -0.243507D+01
      3  -0.604035D+00 -0.361719D+01 -0.247944D+01  0.229341D+01 -0.193399D+00
                26            27            28            29            30 
      1  -0.243507D+01 -0.193399D+00 -0.368005D+01 -0.240406D+01  0.235501D+01
      2  -0.338968D+01  0.159784D+01 -0.240406D+01  0.397427D+01  0.916661D+00
      3   0.159784D+01  0.201533D+01  0.235501D+01  0.916661D+00 -0.205513D+00
                31            32            33            34            35 
      1  -0.912026D+00  0.315250D+01  0.950437D+00  0.192660D+01  0.105736D+01
      2   0.315250D+01 -0.332062D+01  0.193736D+01  0.105736D+01  0.153220D+01
      3   0.950437D+00  0.193736D+01  0.199975D+01 -0.102847D-01  0.174187D+01
                36            37            38            39            40 
      1  -0.102847D-01  0.117888D+01 -0.115604D+01 -0.402021D+01  0.207044D+00
      2   0.174187D+01 -0.115604D+01 -0.317564D+01 -0.154863D+01 -0.416613D+01
      3  -0.289244D+01 -0.402021D+01 -0.154863D+01 -0.164839D+01 -0.175105D+01
                41            42            43            44            45 
      1  -0.416613D+01 -0.175105D+01 -0.321849D+01 -0.158384D+01 -0.181860D+01
      2   0.502825D+01 -0.139098D+01 -0.158384D+01 -0.138528D+00 -0.356204D+01
      3  -0.139098D+01 -0.255327D+01 -0.181860D+01 -0.356204D+01  0.210359D+01
                46            47            48            49            50 
      1   0.766305D+01  0.324319D+01  0.278497D+00  0.286588D+01 -0.101847D+01
      2   0.324319D+01 -0.381942D+01 -0.315315D+01 -0.101847D+01 -0.900909D+00
      3   0.278497D+00 -0.315315D+01 -0.229194D+01 -0.171222D+01 -0.107855D+01
                51            52            53            54            55 
      1  -0.171222D+01  0.350176D+00 -0.135248D+01  0.986477D-01 -0.161754D+01
      2  -0.107855D+01 -0.135248D+01 -0.644105D+00  0.428408D+00 -0.106219D+01
      3   0.322753D-01  0.986477D-01  0.428408D+00  0.170645D+01  0.137116D+01
                56            57            58            59            60 
      1  -0.106219D+01  0.137116D+01 -0.159294D+01  0.366044D+01  0.948178D+00
      2   0.470475D+01  0.136293D+01  0.366044D+01 -0.284741D+01  0.157043D+01
      3   0.136293D+01  0.136652D+01  0.948178D+00  0.157043D+01  0.208684D+01
                61            62            63            64            65 
      1   0.494758D+00 -0.421894D+00  0.111177D+01  0.150809D+01  0.199926D+01
      2  -0.421894D+00  0.202348D+01  0.838850D+00  0.199926D+01 -0.412554D+00
      3   0.111177D+01  0.838850D+00 -0.525771D+01  0.473197D+01 -0.130386D+01
                66            67            68            69            70 
      1   0.473197D+01  0.128126D+01 -0.813053D+00 -0.134280D+01  0.388145D+01
      2  -0.130386D+01 -0.813053D+00 -0.804343D+00 -0.310213D+01 -0.148043D+01
      3   0.887984D+00 -0.134280D+01 -0.310213D+01  0.229183D+01  0.853528D+00
                71            72            73            74            75 
      1  -0.148043D+01  0.853528D+00 -0.161260D+02 -0.311994D+01  0.100823D+01
      2  -0.317684D+01  0.295157D+01 -0.311994D+01 -0.858055D+00  0.101241D+01
      3   0.295157D+01  0.668220D+00  0.100823D+01  0.101241D+01 -0.704121D+00
                76            77            78            79            80 
      1  -0.328158D+01 -0.345455D+01  0.505480D+00  0.378207D+00  0.213762D+00
      2  -0.345455D+01 -0.196923D+01  0.678484D+00  0.213762D+00  0.150793D+00
      3   0.505480D+00  0.678484D+00 -0.298462D+00 -0.298642D+01 -0.839321D+00
                81            82            83            84            85 
      1  -0.298642D+01 -0.344345D+00 -0.189510D+01 -0.437752D+01 -0.237239D+01
      2  -0.839321D+00 -0.189510D+01 -0.124479D+01 -0.275136D+00 -0.212712D+01
      3  -0.503826D-02 -0.437752D+01 -0.275136D+00 -0.172905D+01 -0.420499D+00
                86            87            88            89            90 
      1  -0.212712D+01 -0.420499D+00 -0.517023D+01 -0.397868D+00 -0.226901D+01
      2   0.531410D+01  0.177757D+01 -0.397868D+00  0.166881D+01 -0.270094D+01
      3   0.177757D+01 -0.288305D+01 -0.226901D+01 -0.270094D+01  0.227726D+01
                91            92            93            94            95 
      1   0.186192D+01 -0.573779D+00 -0.480115D+01 -0.998940D+00 -0.172579D+01
      2  -0.573779D+00 -0.153211D+01 -0.613395D+00 -0.172579D+01  0.520020D+01
      3  -0.480115D+01 -0.613395D+00 -0.190460D+01 -0.920868D+00  0.132609D+01
                96            97            98            99           100 
      1  -0.920868D+00 -0.436623D+01 -0.819107D+00 -0.177832D+01  0.231088D+01
      2   0.132609D+01 -0.819107D+00  0.217210D+01 -0.295692D+01 -0.351738D+00
      3  -0.358555D+01 -0.177832D+01 -0.295692D+01 -0.169883D-01 -0.214930D+01
               101           102           103           104           105 
      1  -0.351738D+00 -0.214930D+01 -0.912284D+00  0.653209D+00  0.124402D+01
      2   0.112192D+01  0.658802D+00  0.653209D+00 -0.107746D+01 -0.969755D+00
      3   0.658802D+00  0.339758D+01  0.124402D+01 -0.969755D+00 -0.251511D+01
               106           107           108           109           110 
      1  -0.170957D+01  0.452195D+00  0.213266D+01 -0.441780D+01  0.100794D+01
      2   0.452195D+00 -0.816594D+00 -0.101990D+01  0.100794D+01 -0.136103D+01
      3   0.213266D+01 -0.101990D+01 -0.625125D+01 -0.346074D+01  0.128175D+01
               111           112           113           114           115 
      1  -0.346074D+01  0.832196D+00 -0.919294D+00  0.850707D+00 -0.200677D+01
      2   0.128175D+01 -0.919294D+00  0.974845D+00 -0.885478D+00  0.754304D+00
      3  -0.375464D+01  0.850707D+00 -0.885478D+00  0.814989D+00 -0.205185D+01
               116           117           118           119           120 
      1   0.754304D+00 -0.205185D+01 -0.933452D+00  0.199226D+01 -0.625857D+00
      2  -0.579693D+00  0.693039D+00  0.199226D+01 -0.385405D+01  0.726825D+00
      3   0.693039D+00 -0.374391D+01 -0.625857D+00  0.726825D+00 -0.857856D+00
               121           122           123           124           125 
      1   0.143757D+01 -0.186617D+01  0.251959D+00 -0.324530D+00  0.359138D-01
      2  -0.186617D+01  0.884258D+01 -0.172892D+01  0.359138D-01 -0.792739D+00
      3   0.251959D+00 -0.172892D+01  0.123155D+01 -0.395336D+00  0.103469D+01
               126           127           128           129           130 
      1  -0.395336D+00  0.650848D+01  0.274106D+01 -0.215819D+01  0.133751D+01
      2   0.103469D+01  0.274106D+01  0.237336D+01 -0.122697D+01  0.137178D+01
      3  -0.365576D+00 -0.215819D+01 -0.122697D+01  0.193571D+01 -0.663738D+00
               131           132           133           134           135 
      1   0.137178D+01 -0.663738D+00 -0.181809D+01 -0.888658D+00  0.147247D+01
      2   0.201054D+01 -0.858953D+00 -0.888658D+00 -0.107258D+01  0.713899D+00
      3  -0.858953D+00  0.371566D+00  0.147247D+01  0.713899D+00 -0.127456D+01
               136           137           138           139           140 
      1  -0.235838D+00  0.136594D+00  0.126086D+01 -0.394241D+00 -0.297504D+00
      2   0.136594D+00 -0.597407D+00 -0.415821D+00 -0.297504D+00  0.184099D+00
      3   0.126086D+01 -0.415821D+00 -0.134464D+01  0.183707D+00  0.806713D+00
               141           142           143           144           145 
      1   0.183707D+00  0.164533D+01 -0.220138D+00 -0.151238D+01 -0.277114D+01
      2   0.806713D+00 -0.220138D+00  0.139451D+01  0.102602D+01  0.270013D+01
      3  -0.970424D+00 -0.151238D+01  0.102602D+01  0.908180D+01  0.263322D+00
               146           147           148           149           150 
      1   0.270013D+01  0.263322D+00  0.278816D+01 -0.310705D+01 -0.476686D+00
      2  -0.360705D+01 -0.737703D+00 -0.310705D+01  0.727515D+01  0.504545D+00
      3  -0.737703D+00 -0.804793D+00 -0.476686D+00  0.504545D+00  0.987584D+00
               151           152           153           154           155 
      1  -0.815906D+00  0.577502D+00 -0.409867D+00  0.374762D+01  0.243431D+01
      2   0.577502D+00 -0.115083D+01  0.866944D+00  0.243431D+01  0.267043D+01
      3  -0.409867D+00  0.866944D+00  0.589397D+00  0.259700D+01  0.152517D+01
               156           157           158           159           160 
      1   0.259700D+01  0.144672D+01  0.214650D+01  0.925570D+00  0.240494D+01
      2   0.152517D+01  0.214650D+01  0.293870D+01  0.186394D+01  0.142692D+01
      3   0.239476D+01  0.925570D+00  0.186394D+01  0.183973D+01  0.225984D+01
               161           162           163           164           165 
      1   0.142692D+01  0.225984D+01 -0.487620D+01 -0.179207D+01 -0.329000D+01
      2   0.214088D+01  0.247906D+01 -0.179207D+01 -0.208737D+01 -0.119745D+01
      3   0.247906D+01  0.352235D+01 -0.329000D+01 -0.119745D+01 -0.311717D+01
               166           167           168           169           170 
      1  -0.503092D+00 -0.883101D+00 -0.155406D+00 -0.288558D+01 -0.798602D+00
      2  -0.883101D+00 -0.458753D+00 -0.390777D+00 -0.798602D+00 -0.955488D+00
      3  -0.155406D+00 -0.390777D+00 -0.337334D+00 -0.243970D+01 -0.152894D+01
               171           172           173           174           175 
      1  -0.243970D+01 -0.703794D+00 -0.112670D+01 -0.168035D-01 -0.944736D+00
      2  -0.152894D+01 -0.112670D+01 -0.921145D+00  0.415000D+00 -0.835430D+00
      3  -0.337591D+01 -0.168035D-01  0.415000D+00 -0.438777D+00  0.328597D+00
               176           177           178           179           180 
      1  -0.835430D+00  0.328597D+00  0.581975D+00  0.834459D+00 -0.352400D+00
      2  -0.545685D+01  0.201305D+01  0.834459D+00  0.425142D+01 -0.199317D+01
      3   0.201305D+01 -0.175605D+01 -0.352400D+00 -0.199317D+01  0.259151D+01
               181           182           183           184           185 
      1   0.289659D+01 -0.160783D+01 -0.214495D+01 -0.986475D+00  0.126414D+01
      2  -0.160783D+01  0.268821D+01  0.170261D+01  0.126414D+01 -0.190867D+01
      3  -0.214495D+01  0.170261D+01  0.238778D+01  0.820249D+00 -0.938402D+00
               186           187           188           189           190 
      1   0.820249D+00 -0.197671D+01  0.100435D+01  0.140388D+01  0.641987D+00
      2  -0.938402D+00  0.100435D+01 -0.165358D+01 -0.206481D+01  0.928214D+00
      3  -0.121431D+01  0.140388D+01 -0.206481D+01 -0.318303D+01 -0.101892D+01
               191           192           193           194           195 
      1   0.928214D+00 -0.101892D+01  0.186892D+01  0.224121D+00 -0.429767D+00
      2   0.207030D+00 -0.223239D+00  0.224121D+00  0.101353D+01 -0.134932D+01
      3  -0.223239D+00  0.117962D+01 -0.429767D+00 -0.134932D+01  0.185907D+01
               196           197           198           199           200 
      1  -0.218315D+01 -0.883747D-01  0.183856D+01  0.129395D+01 -0.113656D+01
      2  -0.883747D-01 -0.161461D+01  0.156552D+01 -0.113656D+01  0.114089D+01
      3   0.183856D+01  0.156552D+01 -0.494261D+01  0.558259D-01  0.243561D+00
               201           202           203           204           205 
      1   0.558259D-01 -0.284818D+01  0.283971D+01  0.576085D+00  0.930725D-01
      2   0.243561D+00  0.283971D+01 -0.723338D+01 -0.117646D+01  0.380638D+00
      3   0.374892D+00  0.576085D+00 -0.117646D+01 -0.107286D+01  0.733187D+00
               206           207           208           209           210 
      1   0.380638D+00  0.733187D+00  0.720965D+01  0.824328D+00  0.254500D+01
      2  -0.977077D+00 -0.787652D+00  0.824328D+00  0.100837D+01  0.239041D+00
      3  -0.787652D+00 -0.706980D+00  0.254500D+01  0.239041D+00  0.172722D+01
               211           212           213           214           215 
      1   0.238220D+01  0.137966D+01  0.710666D+00  0.500419D+01  0.355379D+00
      2   0.137966D+01  0.188611D+00  0.372229D+00  0.355379D+00  0.720895D+00
      3   0.710666D+00  0.372229D+00  0.901530D+00  0.249581D+01  0.570231D+00
               216           217           218           219           220 
      1   0.249581D+01 -0.448337D+01  0.125430D+00  0.216946D+01  0.348711D+00
      2   0.570231D+00  0.125430D+00 -0.144004D+01  0.954541D+00 -0.855462D+00
      3   0.210776D+01  0.216946D+01  0.954541D+00 -0.289008D+01  0.395786D+00
               221           222           223           224           225 
      1  -0.855462D+00  0.395786D+00  0.192887D+01  0.354539D+00 -0.150981D+01
      2  -0.110992D+00  0.191414D+00  0.354539D+00  0.315297D+00 -0.145067D+00
      3   0.191414D+00  0.316011D+00 -0.150981D+01 -0.145067D+00  0.267231D+01
               226           227           228           229           230 
      1   0.344218D+01  0.146063D+00  0.330007D+01  0.117644D+01  0.796898D+00
      2   0.146063D+00  0.107821D+01 -0.312848D-01  0.796898D+00  0.988655D-01
      3   0.330007D+01 -0.312848D-01  0.402468D+01  0.102025D+01  0.647997D+00
               231           232           233           234           235 
      1   0.102025D+01  0.258525D+01  0.117513D+00  0.296448D+01  0.638041D+00
      2   0.647997D+00  0.117513D+00  0.590293D+00  0.332485D+00 -0.113574D+01
      3   0.208598D+01  0.296448D+01  0.332485D+00  0.563390D+01  0.613186D+00
               236           237           238           239           240 
      1  -0.113574D+01  0.613186D+00 -0.134480D+01  0.161552D+01 -0.236202D+00
      2   0.142593D+01 -0.191169D+00  0.161552D+01 -0.842945D+01  0.116993D+01
      3  -0.191169D+00  0.590105D+00 -0.236202D+00  0.116993D+01 -0.146838D+01
               241           242           243 
      1   0.123208D+00  0.242136D+00  0.284810D+00
      2   0.242136D+00 -0.857666D+00 -0.485933D+00
      3   0.284810D+00 -0.485933D+00 -0.130015D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.159405D+01  0.102871D+01  0.158715D+01  0.221872D+01 -0.592010D+01
      2   0.930182D+01 -0.204880D+00  0.364100D+01  0.146497D+01 -0.430943D+01
      3   0.784722D+00 -0.685214D+01 -0.199310D+01  0.919121D+00  0.727735D+01
                 6             7             8             9            10 
      1  -0.354314D+01  0.382322D+01  0.389817D+01  0.170927D+01 -0.402868D+01
      2   0.316407D+01 -0.351789D+01  0.342258D+01 -0.295720D+01 -0.184166D+01
      3   0.290488D+01 -0.241033D+01  0.297324D+01 -0.376249D+01 -0.209145D+01
                11            12            13            14            15 
      1  -0.238783D+01  0.412401D+00  0.116467D+01  0.450638D+01 -0.113011D+02
      2  -0.350985D+01  0.150000D+01 -0.335010D+01 -0.456742D+00  0.145201D+01
      3  -0.286375D+01  0.421238D+01  0.715039D+01  0.423934D+00  0.129183D+01
                16            17            18            19            20 
      1  -0.540325D+01 -0.584772D+00 -0.188912D+01  0.412252D+01  0.434950D+01
      2  -0.626008D+01  0.387823D+01 -0.554582D+01  0.484343D+01 -0.125819D+01
      3   0.386493D+01  0.266508D+01 -0.213782D+00 -0.407016D+00 -0.440011D+01
                21            22            23            24            25 
      1   0.482757D+01 -0.276876D+00  0.187988D+01  0.584594D+01  0.555921D+01
      2   0.112069D+02 -0.735860D+00 -0.819428D+00 -0.792647D+01  0.375094D+01
      3   0.358637D+00  0.509481D+00 -0.227349D+00 -0.167115D+01  0.653627D+00
                26            27            28            29            30 
      1   0.107392D+02 -0.172074D+01 -0.505601D+01 -0.683283D+01 -0.119045D+01
      2  -0.785263D+01  0.417185D+00 -0.194049D+01 -0.195292D+01  0.506726D+01
      3  -0.188350D+01  0.506697D+00 -0.828255D+01 -0.127590D+02  0.600182D+01
                31            32            33            34            35 
      1  -0.614581D+01 -0.241135D+01 -0.113125D+02 -0.737196D+00 -0.588418D+01
      2  -0.530186D+00  0.513246D+01  0.317754D+01  0.702326D+00  0.252410D+01
      3  -0.380937D+01  0.124734D+02  0.524827D+00  0.536024D+01  0.172177D+01
                36            37            38            39            40 
      1   0.683756D+01  0.410975D+01  0.742117D+00  0.483556D+00  0.262555D+00
      2  -0.438653D+01 -0.590931D+01 -0.106539D+01  0.445511D+01 -0.120571D+01
      3  -0.158435D+01  0.561286D+01 -0.256234D+01 -0.399779D+01  0.582520D+01
                41            42            43            44            45 
      1   0.552049D+01  0.119475D+01 -0.559167D+00  0.870052D+01 -0.810109D+01
      2   0.199591D+01 -0.135016D+01 -0.239341D+01 -0.815488D+00  0.342936D+01
      3  -0.971113D+01 -0.166485D+01 -0.335848D+01 -0.189020D+01 -0.150751D+00
                46            47            48            49            50 
      1   0.281697D+01  0.178788D+01  0.434901D+01  0.415762D+01 -0.131631D+02
      2  -0.365626D+01  0.751398D+01 -0.200107D+01  0.581747D+01 -0.244056D+01
      3   0.442776D+00  0.823659D+00 -0.711427D+01  0.592764D+01  0.173380D+01
                51            52            53            54            55 
      1  -0.211359D+01  0.117449D+01  0.101993D+02  0.139069D+02 -0.523640D+01
      2  -0.763359D+00 -0.103096D+02  0.111902D+01  0.551031D+01  0.267218D+01
      3  -0.286265D+01 -0.680256D+01 -0.297471D+01  0.173721D+00 -0.561799D+01
                56            57            58            59            60 
      1   0.615876D+01 -0.195129D+01  0.475406D+01 -0.575116D+01 -0.564017D+01
      2   0.845351D+00 -0.405641D+01  0.892715D+00 -0.723133D+01 -0.221399D+01
      3   0.371138D+01  0.527194D+01  0.669874D+01  0.178555D+01  0.158889D+01
                61            62            63            64            65 
      1  -0.463432D+00  0.493132D+01  0.111300D+02  0.690478D+01 -0.153539D+01
      2  -0.795558D+01 -0.125135D+00  0.729050D+01 -0.213628D+01  0.476221D+01
      3   0.374265D+01  0.298250D+00  0.298026D+01 -0.191760D+01 -0.944078D+01
                66            67            68            69            70 
      1   0.363577D+01 -0.270245D+01 -0.675557D+01  0.789732D+01  0.317914D+01
      2   0.794167D+01  0.269474D+01  0.188975D+01 -0.394011D+01  0.255164D+01
      3  -0.131245D+02 -0.194392D+01  0.160733D+01  0.829029D+00 -0.105111D+02
                71            72            73            74            75 
      1   0.152360D+02 -0.238577D+01 -0.571182D-01 -0.729371D+00 -0.429223D+01
      2  -0.540792D+01  0.709511D+00  0.361403D+01  0.328126D+00  0.128627D+02
      3  -0.132764D+00  0.118794D+00 -0.330416D+01 -0.138900D+02  0.185580D+00
                76            77            78            79            80 
      1  -0.273558D+01  0.254349D+01 -0.145632D+01  0.915795D+00 -0.120289D+01
      2  -0.114647D+01  0.257851D+01  0.340920D+01  0.441463D+01  0.534315D+00
      3  -0.347271D+01 -0.730402D+01  0.319979D+00  0.463348D+00  0.746721D+00
                81            82            83            84            85 
      1  -0.497671D+01 -0.222293D+01 -0.508048D-02 -0.171120D+01 -0.205339D-02
      2  -0.158983D+01 -0.119765D+02 -0.679278D+00 -0.482936D+01 -0.209358D+01
      3  -0.248142D+01  0.595018D+01  0.364115D+01  0.316406D+01  0.116498D+02
                86            87            88            89            90 
      1   0.891741D+00 -0.462251D+01 -0.367871D+01 -0.532767D+00  0.304765D+01
      2   0.584879D+01 -0.823019D+01 -0.124167D+02 -0.722189D+01  0.837463D+01
      3  -0.147988D+02 -0.608818D+01  0.449324D+01 -0.563801D+01  0.978432D+01
                91            92            93            94            95 
      1  -0.874318D+01 -0.402231D+01 -0.376660D+01 -0.590960D+01  0.156088D+02
      2  -0.103344D+02 -0.497399D+00  0.128000D+02  0.259989D+00  0.482932D+01
      3  -0.299508D+01 -0.572343D-01  0.881685D+01  0.461073D+01 -0.389157D+01
                96            97            98            99           100 
      1  -0.554746D+01 -0.385181D+01  0.302270D+01 -0.866921D+01  0.639570D+00
      2  -0.132208D+01  0.647829D+01 -0.187405D+01  0.331794D+01  0.704854D+01
      3  -0.336736D-01  0.712336D+01 -0.163676D+01  0.517608D+01  0.107206D+01
               101           102           103           104           105 
      1  -0.467449D+01 -0.238187D+01 -0.588758D+00  0.403154D+01  0.399505D-01
      2  -0.151038D+01 -0.262357D+01 -0.265813D+01  0.136850D+01  0.171234D+01
      3  -0.138837D+01 -0.885136D+00  0.724259D+00  0.318982D+00  0.286419D+00
               106           107           108           109           110 
      1  -0.176488D+01  0.508747D+01  0.350904D+01 -0.247830D+00  0.387185D+01
      2  -0.565825D+01  0.136467D+01  0.369854D+01 -0.108869D+02  0.152760D+01
      3  -0.315123D+00  0.139204D+01  0.744468D+00 -0.304151D+01 -0.192164D+01
               111           112           113           114           115 
      1  -0.209779D+00  0.109684D+01 -0.172164D+01 -0.383370D+00  0.107438D+00
      2  -0.416480D+01  0.232823D+01 -0.172457D+01  0.185058D+01 -0.543577D+01
      3  -0.167082D+01  0.145363D+01  0.163214D+00  0.556548D+00 -0.153531D+01
               116           117           118           119           120 
      1   0.182748D+01  0.585490D+00 -0.398142D+00  0.306008D+01  0.294228D+01
      2   0.154564D+01 -0.336591D+01 -0.193955D+01  0.227474D+01  0.449598D-01
      3  -0.585748D+00 -0.136891D+01 -0.486501D+01  0.613340D+01 -0.175154D+01
               121           122           123           124           125 
      1   0.186296D+01 -0.564707D+01 -0.437262D+01  0.936508D+00  0.114778D+00
      2   0.212535D+01 -0.342923D+01  0.409635D+00 -0.145854D+01  0.957960D+00
      3   0.768630D+01 -0.100923D+02  0.150232D+01 -0.963106D+00  0.720847D+00
               126           127           128           129           130 
      1  -0.623402D+00  0.285769D+01 -0.799263D+00 -0.467057D+01  0.800305D-01
      2  -0.228330D+00  0.648461D+01  0.139189D+01  0.184186D+01  0.726364D+00
      3  -0.181798D+01  0.149814D+02  0.134444D+01 -0.375203D+01  0.258981D+01
               131           132           133           134           135 
      1   0.370069D+00 -0.834729D+00 -0.267328D+01  0.134545D+01  0.183762D+01
      2   0.687437D+00  0.212459D+00 -0.213787D+01 -0.456706D+00 -0.235938D+00
      3   0.900293D+00 -0.996350D+00 -0.410004D+01 -0.702151D+00  0.301189D+01
               136           137           138           139           140 
      1  -0.144730D+01  0.384783D+00  0.246064D+01  0.580935D+00 -0.176841D+01
      2  -0.123210D+01  0.723783D+00  0.131038D+01  0.832830D+00 -0.459896D+00
      3   0.190149D+00 -0.191708D+01  0.844315D+00  0.117369D+00 -0.153857D+01
               141           142           143           144           145 
      1   0.360959D+01  0.251095D+01  0.169942D+01 -0.170012D+02  0.327533D+01
      2   0.220985D+01 -0.316056D+01 -0.994718D+00 -0.991378D+01  0.331754D+01
      3   0.981951D+00  0.245866D+01  0.190797D+01 -0.255289D+01 -0.131275D+01
               146           147           148           149           150 
      1  -0.636038D+01  0.285755D+00 -0.405289D+01  0.109841D+02 -0.242211D+01
      2  -0.343575D+01  0.222203D+01 -0.385856D+01  0.533517D+01 -0.106287D+01
      3  -0.218867D+01 -0.823521D+00  0.377861D+01  0.443108D+01 -0.458401D+00
               151           152           153           154           155 
      1   0.111366D+01 -0.298613D+01  0.576960D+00 -0.205056D+01  0.129392D+01
      2   0.830249D+00 -0.166356D+01  0.612546D+00 -0.204469D+01 -0.602663D+00
      3  -0.121389D+01 -0.117324D+01  0.217367D+00  0.513818D+01 -0.579684D+00
               156           157           158           159           160 
      1  -0.353757D+01 -0.302385D+00 -0.122240D+00 -0.371664D+01 -0.194645D+01
      2   0.175255D+01 -0.146460D+01 -0.307244D+00  0.132222D+01 -0.213820D+01
      3   0.280441D+01  0.287886D+01  0.635190D+00  0.489557D+00  0.376468D+01
               161           162           163           164           165 
      1   0.369102D+00 -0.407091D+01 -0.428267D+01  0.152358D+01 -0.572594D+01
      2   0.984823D+00  0.215205D+01 -0.538978D+01 -0.104140D+01  0.270588D+00
      3  -0.719260D+00  0.142047D+01  0.108881D+02 -0.257757D+00  0.643870D+01
               166           167           168           169           170 
      1   0.142457D+00 -0.215129D+00 -0.141499D+01 -0.427343D+01 -0.758315D-01
      2  -0.526723D+00 -0.958005D+00  0.541063D-01 -0.355660D+01 -0.692296D-01
      3   0.142316D+01  0.150063D+01  0.610390D+00  0.655812D+01  0.204723D+00
               171           172           173           174           175 
      1  -0.514648D+01  0.120113D+01  0.194126D+01 -0.135207D+01  0.186830D+01
      2   0.289538D-01 -0.515147D+00 -0.162294D+01  0.113475D+01 -0.653215D+00
      3   0.461097D+01  0.917300D+00  0.854213D+00  0.109640D+00  0.373490D+01
               176           177           178           179           180 
      1   0.109584D+02 -0.960218D+01 -0.115503D+01 -0.858385D+01  0.110375D+02
      2  -0.270234D+01  0.215008D+01 -0.385986D+00  0.260368D+01 -0.327539D+01
      3  -0.206108D+01  0.765578D+00 -0.233050D+01  0.157821D+01 -0.980952D+00
               181           182           183           184           185 
      1  -0.259648D+01 -0.156718D+01  0.386519D+01  0.266454D+00  0.490031D+00
      2   0.707134D+01 -0.289607D+01 -0.271993D+01 -0.222230D+01  0.208234D+01
      3  -0.964486D+01  0.320752D+01  0.565315D+01  0.436951D+01 -0.314958D+01
               186           187           188           189           190 
      1  -0.286417D+01  0.178223D+01 -0.281315D+00 -0.404877D+01 -0.127210D+01
      2   0.137562D+01 -0.522105D+01  0.239413D+01  0.284813D+01 -0.306889D+01
      3  -0.240749D+01  0.605115D+01 -0.218001D+01 -0.426880D+01 -0.311800D+01
               191           192           193           194           195 
      1  -0.412321D+00  0.550566D+00  0.308918D+00 -0.248230D+01  0.131553D+01
      2   0.118217D+00  0.308453D+01  0.107074D+01 -0.473291D+01  0.662726D+01
      3  -0.119949D+01  0.124273D+01  0.875027D+00 -0.503207D+01  0.486474D+01
               196           197           198           199           200 
      1   0.708788D+00  0.442738D+01 -0.365812D+01  0.313635D+00 -0.489604D+00
      2   0.454312D+00  0.590710D+01 -0.156795D+02  0.422549D+00  0.322827D+00
      3   0.425903D+00  0.650240D+01 -0.624659D+01  0.233231D+01 -0.345560D+01
               201           202           203           204           205 
      1   0.536523D+00 -0.326177D-01  0.143070D+01 -0.338354D+01  0.346309D+00
      2   0.171465D+01  0.691773D+00 -0.326751D+01 -0.409831D+01  0.874915D+00
      3  -0.690039D+00 -0.222650D+01  0.200201D+02  0.310425D+01 -0.771978D+00
               206           207           208           209           210 
      1   0.692460D+00 -0.692227D+00  0.175964D+01  0.883570D+00  0.836871D+00
      2  -0.178839D+01 -0.204563D+01  0.781475D+01  0.133052D+01  0.832950D+01
      3   0.317910D+01  0.160092D+01 -0.652164D+01 -0.580065D+01 -0.256287D+01
               211           212           213           214           215 
      1   0.615268D+00  0.696496D+00 -0.280883D+00  0.189311D+01  0.164353D+01
      2   0.197305D+01  0.102824D+01  0.347103D+01  0.543063D+01  0.179820D+01
      3  -0.363564D+01 -0.187059D+01 -0.127279D+01 -0.377582D+01 -0.367325D+01
               216           217           218           219           220 
      1   0.821909D+00  0.461891D+01 -0.403192D+01 -0.217817D+01 -0.239149D+01
      2   0.742663D+01  0.152972D+02 -0.103137D+01 -0.475938D+01 -0.126878D+01
      3  -0.323587D+01  0.815545D+01 -0.199894D+01 -0.331282D+01  0.254984D+00
               221           222           223           224           225 
      1   0.126113D+01 -0.236863D+00 -0.186892D+01  0.168548D+01  0.289109D+01
      2   0.283210D+01 -0.668907D+00 -0.741589D+01 -0.655542D+00  0.443228D+01
      3   0.166673D+01 -0.824893D+00 -0.330366D+01  0.161801D+00  0.224012D+01
               226           227           228           229           230 
      1   0.478115D+01  0.401386D+01  0.510220D+01  0.276388D+01  0.172939D+01
      2  -0.494250D+01 -0.835668D+00 -0.567146D+00 -0.206251D+01 -0.846024D+00
      3  -0.390845D+01 -0.315833D+01 -0.374378D+01 -0.131398D+01 -0.147311D+01
               231           232           233           234           235 
      1   0.281320D+01  0.416566D+01  0.407725D+01  0.779836D+01 -0.135572D+01
      2   0.635901D+00 -0.555586D+01 -0.362707D-02  0.485656D-01 -0.197488D+00
      3  -0.164164D+01 -0.354872D+01 -0.188921D+01 -0.409106D+01  0.450268D-01
               236           237           238           239           240 
      1   0.280809D+01  0.109227D+01  0.312079D+01 -0.176716D+02 -0.358019D+01
      2   0.173187D+01  0.454081D+00  0.289849D+01 -0.192329D+01 -0.165747D+01
      3  -0.830279D+00 -0.408233D+00  0.331364D+01  0.672929D+01 -0.818722D+00
               241           242           243 
      1   0.676563D+00 -0.175924D+01 -0.197936D+01
      2  -0.599081D+00 -0.622158D+00 -0.953610D+00
      3  -0.193375D-01  0.102666D+01  0.169764D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.108871D+02  0.366221D+01  0.138313D+02  0.514493D+01  0.771004D+01
      2  -0.209910D+00 -0.263857D+01 -0.891018D+01 -0.421032D+01 -0.180757D+01
      3   0.110970D+02 -0.102364D+01 -0.492115D+01 -0.934606D+00 -0.590247D+01
      4   0.462966D+00  0.397430D+01 -0.489114D+01  0.543034D+01 -0.115523D+02
      5   0.123209D+02 -0.109116D+01  0.723883D+01  0.627414D+00  0.302642D+00
      6  -0.738924D+01  0.229668D+01 -0.119667D+01  0.282540D+01 -0.463484D+01
                 6             7             8             9            10 
      1  -0.465807D+01  0.175643D+02 -0.320133D+01  0.973473D+01  0.590803D+00
      2  -0.346788D+01 -0.973667D+01 -0.153620D+01 -0.438795D+01 -0.256073D+00
      3   0.812595D+01 -0.782763D+01  0.473754D+01 -0.534678D+01 -0.334730D+00
      4  -0.617777D+00 -0.427970D+01 -0.698536D-01  0.198709D+01  0.573005D+01
      5   0.607683D+01  0.855700D+01  0.509341D+01 -0.162952D+01 -0.127945D+01
      6  -0.402587D+01 -0.144268D+01 -0.451423D+01  0.364359D+01  0.685251D+01
                11            12            13            14            15 
      1   0.519539D+01  0.101085D+01  0.644770D+01  0.647829D+00 -0.114046D+02
      2  -0.209305D+01  0.328866D+01  0.114565D+00  0.563040D+01 -0.393340D+01
      3  -0.310234D+01 -0.429952D+01 -0.656227D+01 -0.627823D+01  0.153380D+02
      4   0.282127D+01  0.306545D+01  0.279953D+00  0.854603D+00 -0.151967D+01
      5  -0.183344D+01  0.353863D+01 -0.187594D+01 -0.211622D+01 -0.400009D+01
      6  -0.158093D+01  0.620218D+00 -0.772514D+00  0.234574D+01 -0.457865D+01
                16            17            18            19            20 
      1  -0.130529D+02 -0.664211D+01 -0.149538D+01  0.610794D+01 -0.257341D+01
      2   0.482279D+01 -0.360189D+01  0.561330D+00  0.110385D+02 -0.109638D+02
      3   0.823012D+01  0.102440D+02  0.934049D+00 -0.171465D+02  0.135372D+02
      4   0.593513D+01 -0.404048D+01  0.236491D+01  0.403722D+01 -0.263633D+01
      5   0.187211D+01 -0.306652D+00  0.292514D+00 -0.939945D+01  0.309958D+01
      6  -0.447718D-02 -0.484256D+00  0.103682D+02  0.409512D+01 -0.921085D+00
                21            22            23            24            25 
      1  -0.798403D+01 -0.972301D+01 -0.613673D+01  0.128909D+02 -0.149434D+01
      2  -0.408252D+01 -0.733168D+01 -0.610182D+01  0.108640D+01 -0.559791D+01
      3   0.120666D+02  0.170547D+02  0.122385D+02 -0.139773D+02  0.709225D+01
      4   0.305327D+01 -0.253088D+01 -0.313359D+01 -0.181337D+01  0.110821D+01
      5  -0.196630D+02  0.492668D+01  0.254840D+01  0.111366D+02 -0.130280D+02
      6   0.988627D+01 -0.242510D+01 -0.465267D+01  0.679182D+01  0.737999D+01
                26            27            28            29            30 
      1   0.680803D+01  0.210147D+01 -0.456026D+01 -0.155036D+02  0.577267D+01
      2   0.258734D+00  0.104067D+02 -0.595691D+01  0.246981D+02  0.720079D+00
      3  -0.706676D+01 -0.125082D+02  0.105172D+02 -0.919450D+01 -0.649275D+01
      4  -0.202444D+01  0.334283D+01 -0.171765D+02 -0.111590D+02  0.116495D+02
      5   0.763283D+01  0.293660D+01  0.110840D+02  0.755304D+01 -0.302002D+01
      6   0.528428D+01 -0.515731D+01  0.142937D+02 -0.145132D+01 -0.472225D+01
                31            32            33            34            35 
      1  -0.990522D+01  0.153338D+02 -0.729744D-01  0.466516D+01  0.149622D+01
      2   0.169702D+02 -0.216977D+02  0.890437D+01  0.936930D+00  0.734942D+01
      3  -0.706498D+01  0.636390D+01 -0.883140D+01 -0.560210D+01 -0.884564D+01
      4  -0.301454D+01  0.118821D+02  0.159214D+01  0.961041D+01  0.339087D+01
      5   0.271891D+01 -0.361069D+01  0.135937D+00 -0.413762D+01  0.529135D+00
      6  -0.183093D+01  0.852321D+01  0.163629D+01 -0.287121D+01  0.338072D+01
                36            37            38            39            40 
      1  -0.805579D+01  0.508016D+00  0.398957D+01 -0.231371D+00  0.272750D+01
      2   0.647025D+01  0.194243D+01 -0.872985D+01 -0.316066D+01 -0.548673D+01
      3   0.158554D+01 -0.245045D+01  0.474028D+01  0.339203D+01  0.275923D+01
      4   0.297593D+01  0.131296D+01 -0.713504D+01 -0.111958D+02 -0.618425D+01
      5  -0.186352D+01 -0.446541D+01 -0.829255D+01 -0.926033D+01 -0.434447D+01
      6  -0.106230D+02 -0.122878D+02 -0.105994D+02 -0.361044D+01 -0.775146D+01
                41            42            43            44            45 
      1  -0.850794D+01 -0.439128D+00 -0.262023D+01 -0.118697D+01  0.281737D+01
      2   0.120366D+02 -0.566702D+00  0.211617D+00 -0.540571D+00 -0.793836D+01
      3  -0.352864D+01  0.100583D+01  0.240861D+01  0.172754D+01  0.512099D+01
      4  -0.265987D+01 -0.490695D+01 -0.868641D+01 -0.478911D+01 -0.111104D+02
      5  -0.519296D+01 -0.688407D+01 -0.762995D+01 -0.900980D+01 -0.499739D+01
      6   0.123568D+01 -0.801388D+01 -0.628450D+01 -0.115311D+02  0.297060D+01
                46            47            48            49            50 
      1  -0.527699D+02 -0.685169D+01  0.317677D+01 -0.177579D+02  0.118377D+01
      2   0.248645D+02 -0.148288D+01 -0.332620D+01  0.852403D+01 -0.342576D+01
      3   0.279054D+02  0.833457D+01  0.149437D+00  0.923389D+01  0.224198D+01
      4  -0.137845D+02 -0.742119D+01  0.261626D+01  0.183778D+00 -0.380281D+01
      5   0.519219D+01  0.489167D+01 -0.699586D+01  0.268877D+01  0.829876D+00
      6   0.685146D+00  0.359539D+00 -0.590312D+01  0.313548D+01 -0.534409D+01
                51            52            53            54            55 
      1   0.117567D+02  0.119582D+01  0.101712D+02 -0.499951D+00  0.248023D+01
      2  -0.847394D+00  0.150690D+01 -0.592789D+01 -0.201160D+01 -0.707069D+01
      3  -0.109093D+02 -0.270271D+01 -0.424333D+01  0.251155D+01  0.459047D+01
      4   0.227116D+01 -0.935090D+00  0.372373D+01 -0.268628D+01  0.160722D+01
      5  -0.429667D+01  0.430565D+01 -0.875944D+00 -0.434621D+00 -0.254256D+01
      6  -0.309241D+01 -0.439495D+00  0.189031D+00 -0.622825D+01  0.380743D+01
                56            57            58            59            60 
      1  -0.726349D+01 -0.692038D+01  0.145748D+01 -0.253563D+01 -0.868295D+01
      2   0.163303D+02  0.209043D+01  0.915816D+01 -0.113738D+02  0.356183D-01
      3  -0.906677D+01  0.482994D+01 -0.106156D+02  0.139095D+02  0.864733D+01
      4  -0.129590D+02  0.473737D+00 -0.852735D+01  0.172035D+02 -0.155808D+01
      5  -0.169476D+01  0.153188D+00 -0.424107D+00  0.303542D+01 -0.573559D+00
      6   0.983447D+01  0.321469D+01  0.395444D+01  0.102076D+01  0.926332D+01
                61            62            63            64            65 
      1   0.180823D+01 -0.343183D+01  0.964820D+01  0.560124D+01 -0.581784D+01
      2  -0.514072D+01  0.840646D+01  0.154542D+02  0.418851D+01  0.283412D+01
      3   0.333249D+01 -0.497464D+01 -0.251024D+02 -0.978975D+01  0.298371D+01
      4   0.355869D+01 -0.401932D+01  0.563450D+01 -0.530996D+01 -0.879513D+01
      5   0.837862D+00  0.578515D+00  0.129474D+02 -0.891971D+01 -0.795133D+01
      6   0.123286D+01  0.613244D+01 -0.815521D+01 -0.206444D+02  0.795067D+01
                66            67            68            69            70 
      1  -0.970511D+01 -0.525646D+01 -0.275430D+01 -0.276856D+01 -0.800821D+01
      2   0.115085D+02  0.158286D+01 -0.268114D+01  0.179402D+02  0.106429D+02
      3  -0.180336D+01  0.367361D+01  0.543544D+01 -0.151716D+02 -0.263471D+01
      4  -0.185427D+02 -0.592278D+01  0.235855D+01  0.902981D+01 -0.161006D+02
      5  -0.175705D+02 -0.386609D+01  0.739501D+01  0.571723D+00 -0.145534D+02
      6  -0.159015D+00  0.762303D+01  0.151368D+02 -0.558445D+01 -0.287290D+00
                71            72            73            74            75 
      1  -0.609678D+01  0.306708D+01  0.105251D+03  0.134477D+02 -0.394507D+01
      2   0.213642D+02 -0.750836D+01 -0.510515D+02 -0.359134D+01  0.301571D+01
      3  -0.152674D+02  0.444128D+01 -0.541997D+02 -0.985637D+01  0.929357D+00
      4   0.983360D+01 -0.441295D+01  0.185417D+02  0.205513D+02 -0.196799D+01
      5  -0.762010D+00 -0.140650D+01 -0.870624D+01 -0.284130D+01  0.183546D+02
      6  -0.964953D+01 -0.599862D+01 -0.494318D+01 -0.245581D+01  0.371526D+01
                76            77            78            79            80 
      1   0.161732D+02  0.136956D+02 -0.283673D+01  0.148662D+01 -0.218185D+01
      2  -0.665493D+01 -0.164024D+01  0.153569D+01  0.190714D+01  0.107543D+01
      3  -0.951824D+01 -0.120554D+02  0.130103D+01 -0.339376D+01  0.110642D+01
      4   0.246690D+02  0.127898D+02 -0.307950D+01 -0.293339D+01 -0.195595D+01
      5  -0.445995D+01 -0.374461D+01  0.504741D+01  0.210404D+02  0.467130D+01
      6  -0.361534D+01 -0.188397D+01  0.533678D+01  0.255903D+01  0.422345D+01
                81            82            83            84            85 
      1   0.108811D+02 -0.194751D+01 -0.121053D+02 -0.249970D+02 -0.177260D+02
      2  -0.993128D+01  0.336876D+01  0.876286D+01  0.130549D+02  0.151301D+02
      3  -0.949855D+00 -0.142125D+01  0.334248D+01  0.119421D+02  0.259583D+01
      4   0.401352D+01 -0.110650D+02 -0.559645D+01  0.127672D+01 -0.989220D+01
      5  -0.459944D+01 -0.252078D+02 -0.868689D+00 -0.103261D+02 -0.392370D+01
      6  -0.797621D+00  0.442312D+01  0.900277D+00  0.898081D+00  0.162636D+01
                86            87            88            89            90 
      1  -0.499167D+00 -0.770545D+00 -0.306573D+02 -0.601881D+00 -0.134072D+02
      2  -0.100681D+02 -0.256559D+01  0.156496D+02 -0.290213D+01  0.107671D+02
      3   0.105673D+02  0.333614D+01  0.150078D+02  0.350401D+01  0.264004D+01
      4   0.265421D+02  0.717126D+01 -0.891913D+00  0.670925D+01 -0.995824D+01
      5   0.721479D+01 -0.127628D+02 -0.150003D+02 -0.115636D+02  0.898371D+01
      6  -0.560268D+01  0.143375D+01  0.603362D+00  0.165632D+01 -0.871018D+00
                91            92            93            94            95 
      1   0.109602D+02 -0.246910D+01 -0.810062D+01 -0.395584D+01  0.324668D+01
      2   0.109849D+02  0.859825D+01  0.133030D+02  0.114979D+02 -0.240572D+02
      3  -0.219451D+02 -0.612915D+01 -0.520236D+01 -0.754201D+01  0.208105D+02
      4  -0.572814D+01 -0.183741D+01  0.664043D+01 -0.231865D+01  0.144172D+02
      5  -0.342661D+01 -0.231367D+01 -0.226873D+02 -0.541781D+01 -0.272302D+01
      6   0.486756D+01 -0.261764D+01 -0.323920D+01 -0.395472D+01  0.109768D+02
                96            97            98            99           100 
      1   0.588697D+01 -0.795149D+01  0.730722D+01 -0.105131D+02 -0.697191D+00
      2   0.780317D+01  0.132749D+02  0.547794D+00  0.136892D+02 -0.918789D+01
      3  -0.136901D+02 -0.532346D+01 -0.785501D+01 -0.317608D+01  0.988508D+01
      4   0.185599D+01  0.591324D+01  0.422518D+01 -0.268828D+01 -0.120250D+01
      5  -0.104426D+02 -0.209120D+02 -0.709762D+01 -0.902347D+01 -0.989506D+01
      6   0.921286D+01 -0.140348D+01  0.102302D+02 -0.108635D+02 -0.123060D+00
               101           102           103           104           105 
      1  -0.339432D+00  0.790658D+01  0.248433D+01 -0.293833D+01 -0.773680D+01
      2   0.393312D+01  0.114479D+02  0.334481D+01 -0.147330D+01 -0.671038D+01
      3  -0.359369D+01 -0.193545D+02 -0.582914D+01  0.441163D+01  0.144472D+02
      4   0.216999D+01 -0.243999D+00  0.178270D+01 -0.105499D+01 -0.122913D+01
      5   0.207588D+01  0.147125D+02  0.279687D+01 -0.369218D+01 -0.466225D+01
      6  -0.445592D+01 -0.891369D+00 -0.253947D+01  0.509297D+01  0.614985D+01
               106           107           108           109           110 
      1   0.450139D+01 -0.244999D+01 -0.166707D+02  0.355380D+01  0.191190D+01
      2   0.751144D+01 -0.348078D+01 -0.217694D+02 -0.120478D+02  0.111828D+01
      3  -0.120128D+02  0.593077D+01  0.384401D+02  0.849400D+01 -0.303018D+01
      4  -0.249703D+00 -0.128308D+01 -0.110589D+01 -0.901652D+01  0.559123D+01
      5   0.115277D+02 -0.324185D+01 -0.138181D+02  0.220881D+02 -0.498845D+01
      6  -0.103394D+01  0.553825D+01  0.138301D+01 -0.736027D+01  0.736223D+01
               111           112           113           114           115 
      1  -0.289474D+01  0.134270D+01 -0.164544D+01  0.215785D+01 -0.181253D+01
      2  -0.105666D+02  0.111594D+01  0.147066D+01  0.225900D+00 -0.621610D+01
      3   0.134614D+02 -0.245864D+01  0.174774D+00 -0.238375D+01  0.802864D+01
      4  -0.683325D+01  0.581243D+01 -0.263904D+01  0.351197D+01 -0.405892D+01
      5   0.202159D+02 -0.435407D+01  0.411916D+01 -0.464134D+01  0.131900D+02
      6  -0.910117D+01  0.536200D+01 -0.548732D+01  0.729660D+01 -0.583904D+01
               116           117           118           119           120 
      1   0.162250D+01 -0.688048D+01 -0.261402D+01  0.119173D+02 -0.378297D+01
      2   0.270612D+00 -0.116920D+02  0.841163D+01 -0.215416D+02  0.269026D+01
      3  -0.189311D+01  0.185725D+02 -0.579761D+01  0.962426D+01  0.109271D+01
      4   0.207842D+01 -0.495151D+01 -0.559073D+01  0.114050D+02 -0.302285D+01
      5  -0.403409D+01  0.134040D+02  0.124697D+01 -0.368860D+01  0.228172D+01
      6   0.509814D+01 -0.774824D+01 -0.520845D+01  0.867510D+01 -0.513597D+01
               121           122           123           124           125 
      1   0.669870D+01 -0.304503D+02  0.621772D+01 -0.133622D+01  0.363391D+01
      2  -0.110504D+02  0.550700D+02 -0.812483D+01  0.121150D+00 -0.316545D+01
      3   0.435173D+01 -0.246197D+02  0.190711D+01  0.121507D+01 -0.468456D+00
      4   0.891562D+01 -0.751431D+01  0.644009D+00 -0.155233D+01  0.344920D+00
      5  -0.293239D+01  0.240716D+01 -0.626063D+00  0.209031D+01 -0.657993D+00
      6   0.351216D+01 -0.202837D+02  0.108685D+02 -0.240958D+01  0.100002D+02
               126           127           128           129           130 
      1  -0.484612D+01  0.180025D+02  0.245192D+01 -0.162237D+01  0.877325D+00
      2   0.462146D+01 -0.302536D+01  0.532283D+01  0.593560D+00  0.334590D+01
      3   0.224654D+00 -0.149772D+02 -0.777476D+01  0.102881D+01 -0.422322D+01
      4  -0.217184D+01  0.298157D+02  0.189897D+02 -0.108287D+02  0.115258D+02
      5   0.969565D+00 -0.181680D+02 -0.862708D+01  0.103229D+02 -0.390823D+01
      6  -0.327498D+01 -0.134110D+02 -0.960817D+01  0.105717D+02 -0.524449D+01
               131           132           133           134           135 
      1  -0.134074D+01  0.756803D+00 -0.205447D+01  0.969053D+00  0.798556D+00
      2   0.835696D+01 -0.305429D+01  0.179396D+01 -0.259247D+01 -0.307343D+01
      3  -0.701621D+01  0.229748D+01  0.260506D+00  0.162341D+01  0.227487D+01
      4   0.930679D+01 -0.442276D+01 -0.846094D+01 -0.559948D+01  0.681027D+01
      5  -0.422482D+01  0.271790D+01  0.101864D+02  0.450262D+01 -0.686225D+01
      6  -0.733257D+01  0.448089D+01  0.801805D+01  0.668715D+01 -0.677576D+01
               136           137           138           139           140 
      1  -0.754626D+00  0.114717D+01 -0.848236D-01  0.204331D+01 -0.307126D+01
      2  -0.393761D+01 -0.111443D+01  0.434572D+01 -0.279877D+01  0.889355D+00
      3   0.469223D+01 -0.327357D-01 -0.426090D+01  0.755451D+00  0.218190D+01
      4  -0.129940D+01  0.409572D+01  0.359697D+01  0.120591D+01 -0.216605D+01
      5  -0.482745D+01  0.132422D+01  0.102698D+02 -0.230278D+01 -0.164216D+01
      6   0.197379D+01 -0.217057D+01 -0.271490D+01 -0.776172D+00  0.130716D+01
               141           142           143           144           145 
      1   0.158641D+00 -0.105172D+01 -0.511077D+01 -0.231288D+02  0.589648D+01
      2   0.568882D+01  0.529737D+01  0.808245D+00 -0.219915D+02  0.535106D+01
      3  -0.584746D+01 -0.424565D+01  0.430252D+01  0.451202D+02 -0.112475D+02
      4  -0.111991D+01  0.382220D+01 -0.298682D+01 -0.679863D+01 -0.165945D+02
      5   0.323667D+01  0.953537D+01 -0.317456D+01 -0.206152D+02 -0.415657D+01
      6   0.445981D+01 -0.412436D+01  0.878423D+01  0.206066D+02  0.387586D+01
               146           147           148           149           150 
      1   0.219852D+00  0.150374D+01 -0.125473D+00 -0.124797D+02 -0.184907D+01
      2  -0.111953D+02 -0.137543D+01 -0.105224D+02  0.341353D+02  0.146509D+01
      3   0.109755D+02 -0.128307D+00  0.106478D+02 -0.216556D+02  0.383984D+00
      4   0.210950D+02  0.334469D+01  0.176610D+02 -0.282126D+02 -0.283293D+01
      5   0.571201D+01  0.403555D+01  0.435198D+01 -0.440900D+01 -0.322956D+01
      6  -0.691520D+01 -0.411309D+01 -0.575393D+01  0.119680D+02  0.663373D+01
               151           152           153           154           155 
      1   0.241170D+01 -0.202613D+00 -0.348204D+01  0.577500D+01 -0.592413D+00
      2   0.828731D+00 -0.550430D+01  0.146098D+01 -0.699645D+00  0.541511D+01
      3  -0.324043D+01  0.570691D+01  0.202106D+01 -0.507535D+01 -0.482270D+01
      4  -0.366687D+01  0.444012D+01 -0.387678D+01  0.158695D+02  0.150341D+02
      5   0.129558D+01 -0.247517D+01 -0.117837D+01  0.137309D+02  0.851128D+01
      6  -0.219398D+01  0.448973D+01  0.191166D+01  0.109162D+02  0.960966D+01
               156           157           158           159           160 
      1   0.101717D+01 -0.159769D+01 -0.526159D+01 -0.362855D+01  0.577639D+00
      2  -0.115086D+01  0.541142D+01  0.109931D+02  0.449648D+01 -0.147494D+01
      3   0.133691D+00 -0.381373D+01 -0.573150D+01 -0.867937D+00  0.897302D+00
      4   0.107385D+02  0.117861D+02  0.124567D+02  0.759713D+01  0.961398D+01
      5   0.121283D+02  0.559599D+01  0.734697D+01  0.554016D+01  0.117574D+02
      6   0.976245D+01  0.759144D+01  0.115298D+02  0.119656D+02  0.941811D+01
               161           162           163           164           165 
      1  -0.430970D+01 -0.550957D+01  0.899187D+01 -0.193213D+01  0.131765D+01
      2   0.353996D+01 -0.349710D+00 -0.917513D+01  0.497674D+01 -0.786102D+01
      3   0.769742D+00  0.585928D+01  0.183267D+00 -0.304461D+01  0.654336D+01
      4   0.882768D+01  0.104780D+02  0.203858D+02  0.123228D+02  0.140151D+02
      5   0.791713D+01  0.130465D+02  0.209731D+02  0.758459D+01  0.180685D+02
      6   0.143027D+02  0.159705D+02  0.141311D+02  0.898912D+01  0.132407D+02
               166           167           168           169           170 
      1  -0.809237D+00 -0.617882D+00 -0.102709D+01  0.204681D+01 -0.239914D+01
      2   0.317460D+01  0.242910D+01  0.139652D+01 -0.729196D+01  0.407880D+00
      3  -0.236536D+01 -0.181122D+01 -0.369428D+00  0.524514D+01  0.199126D+01
      4   0.631978D+01  0.462588D+01  0.288266D+01  0.122412D+02  0.523415D+01
      5   0.189772D+01  0.332207D+01  0.111559D+01  0.155493D+02  0.489650D+01
      6   0.372185D+01  0.265271D+01  0.518287D+01  0.982885D+01  0.101598D+02
               171           172           173           174           175 
      1  -0.389642D+01 -0.618461D+00  0.108010D+00  0.482584D+00 -0.335637D+00
      2  -0.635046D+01  0.315871D+01  0.428905D+01 -0.266976D+01  0.460174D+01
      3   0.102469D+02 -0.254025D+01 -0.439706D+01  0.218718D+01 -0.426610D+01
      4   0.990950D+01  0.445413D+01  0.843944D+01 -0.115380D+01  0.781815D+01
      5   0.148783D+02  0.473644D+00  0.364371D+00  0.369360D+01  0.364662D+00
      6   0.141477D+02  0.466418D+00 -0.143365D+01  0.167375D+01 -0.143408D+01
               176           177           178           179           180 
      1  -0.138869D+02  0.391489D+01  0.369908D+00  0.931441D+01 -0.377346D+01
      2   0.348083D+02 -0.132756D+02 -0.385880D+01 -0.237581D+02  0.982433D+01
      3  -0.209214D+02  0.936068D+01  0.348889D+01  0.144437D+02 -0.605087D+01
      4   0.946729D+01 -0.394202D+01 -0.434946D+01 -0.783972D+01  0.372357D+01
      5  -0.230992D+01  0.174936D+01  0.233902D+01  0.229551D+01 -0.275324D+01
      6  -0.614281D+01  0.953464D+01  0.130377D+01  0.850063D+01 -0.119434D+02
               181           182           183           184           185 
      1  -0.306433D+01  0.956625D+01  0.911688D+01  0.453657D+01 -0.832043D+01
      2   0.452912D+00 -0.103307D+02 -0.211232D+01 -0.505423D+01  0.103933D+02
      3   0.261142D+01  0.764449D+00 -0.700456D+01  0.517660D+00 -0.207287D+01
      4  -0.135752D+02  0.893320D+01  0.984186D+01  0.656224D+01 -0.648737D+01
      5  -0.941273D+01  0.558805D+01  0.880323D+01  0.292373D+01 -0.443355D+01
      6   0.114032D+02 -0.132409D+02 -0.136490D+02 -0.677666D+01  0.935096D+01
               186           187           188           189           190 
      1  -0.597187D+01  0.569888D+01 -0.852995D+01 -0.117914D+02  0.472773D+01
      2   0.354218D+01 -0.140722D+01  0.443987D+01  0.877172D+00 -0.436352D+01
      3   0.242969D+01 -0.429166D+01  0.409008D+01  0.109143D+02 -0.364200D+00
      4  -0.498192D+01  0.903292D+01 -0.544735D+01 -0.600297D+01  0.336411D+01
      5  -0.249046D+01  0.815562D+01 -0.301131D+01 -0.573164D+01 -0.500247D+01
      6   0.104645D+02 -0.788175D+01  0.144554D+02  0.171237D+02 -0.121066D+01
               191           192           193           194           195 
      1   0.478077D+01 -0.424897D+01  0.106048D+02 -0.117699D+01 -0.108900D+01
      2  -0.326796D+01  0.456230D+01 -0.714326D+01  0.169421D+01  0.277693D+01
      3  -0.151281D+01 -0.313330D+00 -0.346156D+01 -0.517215D+00 -0.168793D+01
      4   0.300954D+01 -0.208928D+01  0.339079D+01  0.338639D+01 -0.582678D+01
      5  -0.322549D+01  0.105361D+02 -0.440534D+01 -0.545447D+01  0.941411D+01
      6  -0.444018D+00 -0.147519D+00 -0.107440D-01 -0.187347D+01  0.212996D+01
               196           197           198           199           200 
      1  -0.105690D+02  0.254717D+00  0.420200D+01  0.674196D+01 -0.478996D+01
      2   0.798198D+01  0.233550D+01 -0.122211D+02 -0.640977D+00  0.504213D-01
      3   0.258701D+01 -0.259022D+01  0.801906D+01 -0.610098D+01  0.473954D+01
      4  -0.699973D+00 -0.772808D+01  0.647414D+01 -0.745548D+01  0.112731D+02
      5   0.148399D+02  0.741454D+01 -0.251056D+02  0.225280D+00  0.244998D+01
      6  -0.103605D+01  0.311103D+01  0.772863D+00  0.120963D+01 -0.126662D+01
               201           202           203           204           205 
      1   0.953829D+00 -0.102894D+02 -0.247400D+01  0.469425D+00  0.137918D+01
      2  -0.757888D+00 -0.145962D+01  0.202110D+02  0.163127D+01 -0.108327D+01
      3  -0.195941D+00  0.117490D+02 -0.177370D+02 -0.210069D+01 -0.295910D+00
      4   0.212573D+01  0.205955D+02 -0.377534D+02 -0.587479D+01  0.289529D+01
      5   0.334030D+01  0.404890D+01 -0.533705D+01 -0.585754D+01  0.543882D+01
      6  -0.103810D+01 -0.251263D+01  0.713156D+01  0.641416D+01 -0.217755D+01
               206           207           208           209           210 
      1  -0.154391D+00  0.787257D+00  0.499084D+02  0.608036D+01  0.160443D+02
      2   0.173648D+01  0.290469D+00 -0.270747D+02 -0.365474D+01 -0.950049D+01
      3  -0.158209D+01 -0.107773D+01 -0.228337D+02 -0.242562D+01 -0.654379D+01
      4  -0.521244D+01 -0.382757D+01  0.269859D+01  0.801801D+01  0.102880D+01
      5  -0.400512D+01 -0.352358D+01  0.187455D+02  0.214466D+01  0.140781D+02
      6   0.580589D+01  0.228377D+01 -0.180055D+01  0.552725D+00 -0.144187D+01
               211           212           213           214           215 
      1   0.146558D+02  0.559442D+01  0.366893D+01  0.291158D+02  0.234049D+01
      2  -0.841144D+01 -0.133908D+01 -0.202136D+01 -0.169556D+02 -0.140255D+01
      3  -0.624436D+01 -0.425533D+01 -0.164757D+01 -0.121601D+02 -0.937938D+00
      4   0.970560D+01  0.210465D+01  0.298918D+01  0.871975D+00  0.545618D+01
      5   0.545985D+01  0.293876D+01  0.584157D+01  0.194994D+02  0.331937D+01
      6   0.987493D+00  0.144401D+01  0.161103D+01 -0.120821D+01  0.175038D+01
               216           217           218           219           220 
      1   0.120049D+02 -0.498817D+01 -0.408756D+01  0.111247D+02 -0.102381D+01
      2  -0.104410D+02 -0.441383D+01  0.107976D+01  0.382953D+01 -0.675633D+00
      3  -0.156396D+01  0.940200D+01  0.300780D+01 -0.149543D+02  0.169944D+01
      4   0.245599D+01  0.924025D+01  0.236667D+01 -0.503875D+01  0.249226D+01
      5   0.150785D+02 -0.159678D+02  0.700682D-01  0.100338D+02  0.842174D+00
      6  -0.113932D+01 -0.318715D+01 -0.737946D+01  0.870473D+01 -0.397862D+01
               221           222           223           224           225 
      1  -0.209195D+01  0.411257D+00  0.681664D+01  0.125465D+01 -0.846312D+01
      2   0.357857D+01 -0.220849D+01  0.212954D+01 -0.750528D+00 -0.742676D+01
      3  -0.148661D+01  0.179723D+01 -0.894618D+01 -0.504120D+00  0.158899D+02
      4  -0.378400D+00 -0.909872D+00 -0.465479D+01 -0.135583D+01  0.357259D+01
      5  -0.278766D+01  0.246269D+01  0.106401D+02  0.147085D+01 -0.587191D+01
      6  -0.828807D+00  0.212107D+01  0.402244D+01  0.327472D+01 -0.528513D+01
               226           227           228           229           230 
      1   0.807591D+01  0.182829D+01  0.110910D+01  0.292465D+01 -0.424055D+00
      2  -0.166023D+02 -0.322364D+01 -0.173877D+02 -0.644631D+01 -0.340667D+00
      3   0.852643D+01  0.139535D+01  0.162786D+02  0.352166D+01  0.764721D+00
      4  -0.387517D+01  0.406771D+01 -0.440009D+01  0.232534D+01  0.305906D+00
      5   0.226008D+02  0.795128D+00  0.248536D+02  0.735291D+01  0.456399D+01
      6  -0.209787D+01  0.551529D+01 -0.365465D+01  0.356709D+01  0.163855D+01
               231           232           233           234           235 
      1  -0.154414D+01  0.153911D+01  0.110554D+00 -0.698341D+01 -0.674955D-01
      2  -0.809785D+01 -0.139270D+02 -0.237907D+01 -0.234053D+02  0.184980D+01
      3   0.964198D+01  0.123879D+02  0.226852D+01  0.303887D+02 -0.178230D+01
      4   0.190822D+01 -0.392563D+01  0.209971D+01 -0.279223D+01 -0.481396D+01
      5   0.853116D+01  0.202202D+02  0.145345D+01  0.257525D+02  0.245737D+01
      6   0.373363D+01 -0.218011D+01  0.508687D+01 -0.454119D+01 -0.333719D+01
               236           237           238           239           240 
      1  -0.603699D+00 -0.168656D+00 -0.301875D+00 -0.178622D+02  0.522393D+01
      2  -0.426952D+01 -0.142988D+01 -0.534938D+01  0.384361D+02 -0.172293D+01
      3   0.487322D+01  0.159854D+01  0.565125D+01 -0.205739D+02 -0.350101D+01
      4   0.897636D+01 -0.180972D+01  0.100815D+02 -0.193140D+02  0.294345D+01
      5  -0.329905D+01  0.467244D+01 -0.438166D+01  0.565406D+01 -0.311080D+01
      6   0.449499D+01 -0.156952D+01  0.523167D+01 -0.258388D+02  0.103822D+02
               241           242           243 
      1  -0.409722D+00  0.250354D+00 -0.118482D+01
      2  -0.176778D+01  0.403540D+01  0.153582D+01
      3   0.217750D+01 -0.428575D+01 -0.350993D+00
      4   0.842482D+00 -0.201187D+01 -0.135926D+01
      5   0.253639D+01 -0.526640D+00  0.886259D+00
      6  -0.515947D+00  0.363237D+01 -0.330538D+00
 Leave Link  716 at Sat Jul 10 00:12:25 2021, MaxMem= 17179869184 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.120153D+03  0.103281D+01 -0.238466D+00
      2   0.103281D+01  0.115595D+03  0.144898D+01
      3  -0.238466D+00  0.144898D+01  0.111809D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.200694D+00 -0.459895D+01  0.165023D+01
      2   0.173102D+01 -0.427528D+01  0.213992D+02
      3   0.515998D+01 -0.173498D+02  0.502270D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.257740D+02 -0.137012D+02  0.112578D+02
      2  -0.162758D+02  0.686404D+01 -0.810420D+01
      3  -0.949817D+01  0.683714D+01 -0.315358D+01
      4  -0.174975D+02  0.339714D+02 -0.169815D+02
      5   0.835706D+01 -0.172691D+02  0.435516D+02
      6  -0.105483D+02 -0.142457D+02 -0.443909D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.127450D+01  0.156493D+01  0.570494D+01  0.101073D+01  0.254720D+01
      2   0.156493D+01  0.279256D+01  0.342730D+00  0.254720D+01 -0.591190D+01
      3   0.570494D+01  0.342730D+00  0.275506D+01  0.609456D-02 -0.162068D+01
                 6             7             8             9            10 
      1   0.609456D-02  0.671502D+01  0.579087D+00  0.207847D+01 -0.423521D+01
      2  -0.162068D+01  0.579087D+00 -0.160168D+01  0.408225D+01 -0.208889D+01
      3   0.324684D+01  0.207847D+01  0.408225D+01 -0.119952D+01 -0.424304D+01
                11            12            13            14            15 
      1  -0.208889D+01 -0.424304D+01 -0.237009D+01  0.757814D+00  0.200864D+01
      2   0.103937D+01  0.222632D+01  0.757814D+00  0.860935D+00  0.311008D+01
      3   0.222632D+01 -0.726301D+00  0.200864D+01  0.311008D+01 -0.370415D+01
                16            17            18            19            20 
      1  -0.418503D+01  0.210041D+01 -0.200074D+01  0.224893D+01 -0.393070D+00
      2   0.210041D+01  0.246101D+01 -0.283800D+01 -0.393070D+00 -0.131465D+01
      3  -0.200074D+01 -0.283800D+01 -0.162435D+01  0.405213D+01 -0.269053D+01
                21            22            23            24            25 
      1   0.405213D+01  0.478448D+00 -0.340356D+00 -0.361719D+01  0.254726D+01
      2  -0.269053D+01 -0.340356D+00  0.499575D+00 -0.247944D+01 -0.243507D+01
      3  -0.604035D+00 -0.361719D+01 -0.247944D+01  0.229341D+01 -0.193399D+00
                26            27            28            29            30 
      1  -0.243507D+01 -0.193399D+00 -0.368005D+01 -0.240406D+01  0.235501D+01
      2  -0.338968D+01  0.159784D+01 -0.240406D+01  0.397427D+01  0.916661D+00
      3   0.159784D+01  0.201533D+01  0.235501D+01  0.916661D+00 -0.205513D+00
                31            32            33            34            35 
      1  -0.912026D+00  0.315250D+01  0.950437D+00  0.192660D+01  0.105736D+01
      2   0.315250D+01 -0.332062D+01  0.193736D+01  0.105736D+01  0.153220D+01
      3   0.950437D+00  0.193736D+01  0.199975D+01 -0.102847D-01  0.174187D+01
                36            37            38            39            40 
      1  -0.102847D-01  0.117888D+01 -0.115604D+01 -0.402021D+01  0.207044D+00
      2   0.174187D+01 -0.115604D+01 -0.317564D+01 -0.154863D+01 -0.416613D+01
      3  -0.289244D+01 -0.402021D+01 -0.154863D+01 -0.164839D+01 -0.175105D+01
                41            42            43            44            45 
      1  -0.416613D+01 -0.175105D+01 -0.321849D+01 -0.158384D+01 -0.181860D+01
      2   0.502825D+01 -0.139098D+01 -0.158384D+01 -0.138528D+00 -0.356204D+01
      3  -0.139098D+01 -0.255327D+01 -0.181860D+01 -0.356204D+01  0.210359D+01
                46            47            48            49            50 
      1   0.766305D+01  0.324319D+01  0.278497D+00  0.286588D+01 -0.101847D+01
      2   0.324319D+01 -0.381942D+01 -0.315315D+01 -0.101847D+01 -0.900909D+00
      3   0.278497D+00 -0.315315D+01 -0.229194D+01 -0.171222D+01 -0.107855D+01
                51            52            53            54            55 
      1  -0.171222D+01  0.350176D+00 -0.135248D+01  0.986477D-01 -0.161754D+01
      2  -0.107855D+01 -0.135248D+01 -0.644105D+00  0.428408D+00 -0.106219D+01
      3   0.322753D-01  0.986477D-01  0.428408D+00  0.170645D+01  0.137116D+01
                56            57            58            59            60 
      1  -0.106219D+01  0.137116D+01 -0.159294D+01  0.366044D+01  0.948178D+00
      2   0.470475D+01  0.136293D+01  0.366044D+01 -0.284741D+01  0.157043D+01
      3   0.136293D+01  0.136652D+01  0.948178D+00  0.157043D+01  0.208684D+01
                61            62            63            64            65 
      1   0.494758D+00 -0.421894D+00  0.111177D+01  0.150809D+01  0.199926D+01
      2  -0.421894D+00  0.202348D+01  0.838850D+00  0.199926D+01 -0.412554D+00
      3   0.111177D+01  0.838850D+00 -0.525771D+01  0.473197D+01 -0.130386D+01
                66            67            68            69            70 
      1   0.473197D+01  0.128126D+01 -0.813053D+00 -0.134280D+01  0.388145D+01
      2  -0.130386D+01 -0.813053D+00 -0.804343D+00 -0.310213D+01 -0.148043D+01
      3   0.887984D+00 -0.134280D+01 -0.310213D+01  0.229183D+01  0.853528D+00
                71            72            73            74            75 
      1  -0.148043D+01  0.853528D+00 -0.161260D+02 -0.311994D+01  0.100823D+01
      2  -0.317684D+01  0.295157D+01 -0.311994D+01 -0.858055D+00  0.101241D+01
      3   0.295157D+01  0.668220D+00  0.100823D+01  0.101241D+01 -0.704121D+00
                76            77            78            79            80 
      1  -0.328158D+01 -0.345455D+01  0.505480D+00  0.378207D+00  0.213762D+00
      2  -0.345455D+01 -0.196923D+01  0.678484D+00  0.213762D+00  0.150793D+00
      3   0.505480D+00  0.678484D+00 -0.298462D+00 -0.298642D+01 -0.839321D+00
                81            82            83            84            85 
      1  -0.298642D+01 -0.344345D+00 -0.189510D+01 -0.437752D+01 -0.237239D+01
      2  -0.839321D+00 -0.189510D+01 -0.124479D+01 -0.275136D+00 -0.212712D+01
      3  -0.503826D-02 -0.437752D+01 -0.275136D+00 -0.172905D+01 -0.420499D+00
                86            87            88            89            90 
      1  -0.212712D+01 -0.420499D+00 -0.517023D+01 -0.397868D+00 -0.226901D+01
      2   0.531410D+01  0.177757D+01 -0.397868D+00  0.166881D+01 -0.270094D+01
      3   0.177757D+01 -0.288305D+01 -0.226901D+01 -0.270094D+01  0.227726D+01
                91            92            93            94            95 
      1   0.186192D+01 -0.573779D+00 -0.480115D+01 -0.998940D+00 -0.172579D+01
      2  -0.573779D+00 -0.153211D+01 -0.613395D+00 -0.172579D+01  0.520020D+01
      3  -0.480115D+01 -0.613395D+00 -0.190460D+01 -0.920868D+00  0.132609D+01
                96            97            98            99           100 
      1  -0.920868D+00 -0.436623D+01 -0.819107D+00 -0.177832D+01  0.231088D+01
      2   0.132609D+01 -0.819107D+00  0.217210D+01 -0.295692D+01 -0.351738D+00
      3  -0.358555D+01 -0.177832D+01 -0.295692D+01 -0.169883D-01 -0.214930D+01
               101           102           103           104           105 
      1  -0.351738D+00 -0.214930D+01 -0.912284D+00  0.653209D+00  0.124402D+01
      2   0.112192D+01  0.658802D+00  0.653209D+00 -0.107746D+01 -0.969755D+00
      3   0.658802D+00  0.339758D+01  0.124402D+01 -0.969755D+00 -0.251511D+01
               106           107           108           109           110 
      1  -0.170957D+01  0.452195D+00  0.213266D+01 -0.441780D+01  0.100794D+01
      2   0.452195D+00 -0.816594D+00 -0.101990D+01  0.100794D+01 -0.136103D+01
      3   0.213266D+01 -0.101990D+01 -0.625125D+01 -0.346074D+01  0.128175D+01
               111           112           113           114           115 
      1  -0.346074D+01  0.832196D+00 -0.919294D+00  0.850707D+00 -0.200677D+01
      2   0.128175D+01 -0.919294D+00  0.974845D+00 -0.885478D+00  0.754304D+00
      3  -0.375464D+01  0.850707D+00 -0.885478D+00  0.814989D+00 -0.205185D+01
               116           117           118           119           120 
      1   0.754304D+00 -0.205185D+01 -0.933452D+00  0.199226D+01 -0.625857D+00
      2  -0.579693D+00  0.693039D+00  0.199226D+01 -0.385405D+01  0.726825D+00
      3   0.693039D+00 -0.374391D+01 -0.625857D+00  0.726825D+00 -0.857856D+00
               121           122           123           124           125 
      1   0.143757D+01 -0.186617D+01  0.251959D+00 -0.324530D+00  0.359138D-01
      2  -0.186617D+01  0.884258D+01 -0.172892D+01  0.359138D-01 -0.792739D+00
      3   0.251959D+00 -0.172892D+01  0.123155D+01 -0.395336D+00  0.103469D+01
               126           127           128           129           130 
      1  -0.395336D+00  0.650848D+01  0.274106D+01 -0.215819D+01  0.133751D+01
      2   0.103469D+01  0.274106D+01  0.237336D+01 -0.122697D+01  0.137178D+01
      3  -0.365576D+00 -0.215819D+01 -0.122697D+01  0.193571D+01 -0.663738D+00
               131           132           133           134           135 
      1   0.137178D+01 -0.663738D+00 -0.181809D+01 -0.888658D+00  0.147247D+01
      2   0.201054D+01 -0.858953D+00 -0.888658D+00 -0.107258D+01  0.713899D+00
      3  -0.858953D+00  0.371566D+00  0.147247D+01  0.713899D+00 -0.127456D+01
               136           137           138           139           140 
      1  -0.235838D+00  0.136594D+00  0.126086D+01 -0.394241D+00 -0.297504D+00
      2   0.136594D+00 -0.597407D+00 -0.415821D+00 -0.297504D+00  0.184099D+00
      3   0.126086D+01 -0.415821D+00 -0.134464D+01  0.183707D+00  0.806713D+00
               141           142           143           144           145 
      1   0.183707D+00  0.164533D+01 -0.220138D+00 -0.151238D+01 -0.277114D+01
      2   0.806713D+00 -0.220138D+00  0.139451D+01  0.102602D+01  0.270013D+01
      3  -0.970424D+00 -0.151238D+01  0.102602D+01  0.908180D+01  0.263322D+00
               146           147           148           149           150 
      1   0.270013D+01  0.263322D+00  0.278816D+01 -0.310705D+01 -0.476686D+00
      2  -0.360705D+01 -0.737703D+00 -0.310705D+01  0.727515D+01  0.504545D+00
      3  -0.737703D+00 -0.804793D+00 -0.476686D+00  0.504545D+00  0.987584D+00
               151           152           153           154           155 
      1  -0.815906D+00  0.577502D+00 -0.409867D+00  0.374762D+01  0.243431D+01
      2   0.577502D+00 -0.115083D+01  0.866944D+00  0.243431D+01  0.267043D+01
      3  -0.409867D+00  0.866944D+00  0.589397D+00  0.259700D+01  0.152517D+01
               156           157           158           159           160 
      1   0.259700D+01  0.144672D+01  0.214650D+01  0.925570D+00  0.240494D+01
      2   0.152517D+01  0.214650D+01  0.293870D+01  0.186394D+01  0.142692D+01
      3   0.239476D+01  0.925570D+00  0.186394D+01  0.183973D+01  0.225984D+01
               161           162           163           164           165 
      1   0.142692D+01  0.225984D+01 -0.487620D+01 -0.179207D+01 -0.329000D+01
      2   0.214088D+01  0.247906D+01 -0.179207D+01 -0.208737D+01 -0.119745D+01
      3   0.247906D+01  0.352235D+01 -0.329000D+01 -0.119745D+01 -0.311717D+01
               166           167           168           169           170 
      1  -0.503092D+00 -0.883101D+00 -0.155406D+00 -0.288558D+01 -0.798602D+00
      2  -0.883101D+00 -0.458753D+00 -0.390777D+00 -0.798602D+00 -0.955488D+00
      3  -0.155406D+00 -0.390777D+00 -0.337334D+00 -0.243970D+01 -0.152894D+01
               171           172           173           174           175 
      1  -0.243970D+01 -0.703794D+00 -0.112670D+01 -0.168035D-01 -0.944736D+00
      2  -0.152894D+01 -0.112670D+01 -0.921145D+00  0.415000D+00 -0.835430D+00
      3  -0.337591D+01 -0.168035D-01  0.415000D+00 -0.438777D+00  0.328597D+00
               176           177           178           179           180 
      1  -0.835430D+00  0.328597D+00  0.581975D+00  0.834459D+00 -0.352400D+00
      2  -0.545685D+01  0.201305D+01  0.834459D+00  0.425142D+01 -0.199317D+01
      3   0.201305D+01 -0.175605D+01 -0.352400D+00 -0.199317D+01  0.259151D+01
               181           182           183           184           185 
      1   0.289659D+01 -0.160783D+01 -0.214495D+01 -0.986475D+00  0.126414D+01
      2  -0.160783D+01  0.268821D+01  0.170261D+01  0.126414D+01 -0.190867D+01
      3  -0.214495D+01  0.170261D+01  0.238778D+01  0.820249D+00 -0.938402D+00
               186           187           188           189           190 
      1   0.820249D+00 -0.197671D+01  0.100435D+01  0.140388D+01  0.641987D+00
      2  -0.938402D+00  0.100435D+01 -0.165358D+01 -0.206481D+01  0.928214D+00
      3  -0.121431D+01  0.140388D+01 -0.206481D+01 -0.318303D+01 -0.101892D+01
               191           192           193           194           195 
      1   0.928214D+00 -0.101892D+01  0.186892D+01  0.224121D+00 -0.429767D+00
      2   0.207030D+00 -0.223239D+00  0.224121D+00  0.101353D+01 -0.134932D+01
      3  -0.223239D+00  0.117962D+01 -0.429767D+00 -0.134932D+01  0.185907D+01
               196           197           198           199           200 
      1  -0.218315D+01 -0.883747D-01  0.183856D+01  0.129395D+01 -0.113656D+01
      2  -0.883747D-01 -0.161461D+01  0.156552D+01 -0.113656D+01  0.114089D+01
      3   0.183856D+01  0.156552D+01 -0.494261D+01  0.558259D-01  0.243561D+00
               201           202           203           204           205 
      1   0.558259D-01 -0.284818D+01  0.283971D+01  0.576085D+00  0.930725D-01
      2   0.243561D+00  0.283971D+01 -0.723338D+01 -0.117646D+01  0.380638D+00
      3   0.374892D+00  0.576085D+00 -0.117646D+01 -0.107286D+01  0.733187D+00
               206           207           208           209           210 
      1   0.380638D+00  0.733187D+00  0.720965D+01  0.824328D+00  0.254500D+01
      2  -0.977077D+00 -0.787652D+00  0.824328D+00  0.100837D+01  0.239041D+00
      3  -0.787652D+00 -0.706980D+00  0.254500D+01  0.239041D+00  0.172722D+01
               211           212           213           214           215 
      1   0.238220D+01  0.137966D+01  0.710666D+00  0.500419D+01  0.355379D+00
      2   0.137966D+01  0.188611D+00  0.372229D+00  0.355379D+00  0.720895D+00
      3   0.710666D+00  0.372229D+00  0.901530D+00  0.249581D+01  0.570231D+00
               216           217           218           219           220 
      1   0.249581D+01 -0.448337D+01  0.125430D+00  0.216946D+01  0.348711D+00
      2   0.570231D+00  0.125430D+00 -0.144004D+01  0.954541D+00 -0.855462D+00
      3   0.210776D+01  0.216946D+01  0.954541D+00 -0.289008D+01  0.395786D+00
               221           222           223           224           225 
      1  -0.855462D+00  0.395786D+00  0.192887D+01  0.354539D+00 -0.150981D+01
      2  -0.110992D+00  0.191414D+00  0.354539D+00  0.315297D+00 -0.145067D+00
      3   0.191414D+00  0.316011D+00 -0.150981D+01 -0.145067D+00  0.267231D+01
               226           227           228           229           230 
      1   0.344218D+01  0.146063D+00  0.330007D+01  0.117644D+01  0.796898D+00
      2   0.146063D+00  0.107821D+01 -0.312848D-01  0.796898D+00  0.988655D-01
      3   0.330007D+01 -0.312848D-01  0.402468D+01  0.102025D+01  0.647997D+00
               231           232           233           234           235 
      1   0.102025D+01  0.258525D+01  0.117513D+00  0.296448D+01  0.638041D+00
      2   0.647997D+00  0.117513D+00  0.590293D+00  0.332485D+00 -0.113574D+01
      3   0.208598D+01  0.296448D+01  0.332485D+00  0.563390D+01  0.613186D+00
               236           237           238           239           240 
      1  -0.113574D+01  0.613186D+00 -0.134480D+01  0.161552D+01 -0.236202D+00
      2   0.142593D+01 -0.191169D+00  0.161552D+01 -0.842945D+01  0.116993D+01
      3  -0.191169D+00  0.590105D+00 -0.236202D+00  0.116993D+01 -0.146838D+01
               241           242           243 
      1   0.123208D+00  0.242136D+00  0.284810D+00
      2   0.242136D+00 -0.857666D+00 -0.485933D+00
      3   0.284810D+00 -0.485933D+00 -0.130015D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.159405D+01  0.102871D+01  0.158715D+01  0.221872D+01 -0.592010D+01
      2   0.930182D+01 -0.204880D+00  0.364100D+01  0.146497D+01 -0.430943D+01
      3   0.784722D+00 -0.685214D+01 -0.199310D+01  0.919121D+00  0.727735D+01
                 6             7             8             9            10 
      1  -0.354314D+01  0.382322D+01  0.389817D+01  0.170927D+01 -0.402868D+01
      2   0.316407D+01 -0.351789D+01  0.342258D+01 -0.295720D+01 -0.184166D+01
      3   0.290488D+01 -0.241033D+01  0.297324D+01 -0.376249D+01 -0.209145D+01
                11            12            13            14            15 
      1  -0.238783D+01  0.412401D+00  0.116467D+01  0.450638D+01 -0.113011D+02
      2  -0.350985D+01  0.150000D+01 -0.335010D+01 -0.456742D+00  0.145201D+01
      3  -0.286375D+01  0.421238D+01  0.715039D+01  0.423934D+00  0.129183D+01
                16            17            18            19            20 
      1  -0.540325D+01 -0.584772D+00 -0.188912D+01  0.412252D+01  0.434950D+01
      2  -0.626008D+01  0.387823D+01 -0.554582D+01  0.484343D+01 -0.125819D+01
      3   0.386493D+01  0.266508D+01 -0.213782D+00 -0.407016D+00 -0.440011D+01
                21            22            23            24            25 
      1   0.482757D+01 -0.276876D+00  0.187988D+01  0.584594D+01  0.555921D+01
      2   0.112069D+02 -0.735860D+00 -0.819428D+00 -0.792647D+01  0.375094D+01
      3   0.358637D+00  0.509481D+00 -0.227349D+00 -0.167115D+01  0.653627D+00
                26            27            28            29            30 
      1   0.107392D+02 -0.172074D+01 -0.505601D+01 -0.683283D+01 -0.119045D+01
      2  -0.785263D+01  0.417185D+00 -0.194049D+01 -0.195292D+01  0.506726D+01
      3  -0.188350D+01  0.506697D+00 -0.828255D+01 -0.127590D+02  0.600182D+01
                31            32            33            34            35 
      1  -0.614581D+01 -0.241135D+01 -0.113125D+02 -0.737196D+00 -0.588418D+01
      2  -0.530186D+00  0.513246D+01  0.317754D+01  0.702326D+00  0.252410D+01
      3  -0.380937D+01  0.124734D+02  0.524827D+00  0.536024D+01  0.172177D+01
                36            37            38            39            40 
      1   0.683756D+01  0.410975D+01  0.742117D+00  0.483556D+00  0.262555D+00
      2  -0.438653D+01 -0.590931D+01 -0.106539D+01  0.445511D+01 -0.120571D+01
      3  -0.158435D+01  0.561286D+01 -0.256234D+01 -0.399779D+01  0.582520D+01
                41            42            43            44            45 
      1   0.552049D+01  0.119475D+01 -0.559167D+00  0.870052D+01 -0.810109D+01
      2   0.199591D+01 -0.135016D+01 -0.239341D+01 -0.815488D+00  0.342936D+01
      3  -0.971113D+01 -0.166485D+01 -0.335848D+01 -0.189020D+01 -0.150751D+00
                46            47            48            49            50 
      1   0.281697D+01  0.178788D+01  0.434901D+01  0.415762D+01 -0.131631D+02
      2  -0.365626D+01  0.751398D+01 -0.200107D+01  0.581747D+01 -0.244056D+01
      3   0.442776D+00  0.823659D+00 -0.711427D+01  0.592764D+01  0.173380D+01
                51            52            53            54            55 
      1  -0.211359D+01  0.117449D+01  0.101993D+02  0.139069D+02 -0.523640D+01
      2  -0.763359D+00 -0.103096D+02  0.111902D+01  0.551031D+01  0.267218D+01
      3  -0.286265D+01 -0.680256D+01 -0.297471D+01  0.173721D+00 -0.561799D+01
                56            57            58            59            60 
      1   0.615876D+01 -0.195129D+01  0.475406D+01 -0.575116D+01 -0.564017D+01
      2   0.845351D+00 -0.405641D+01  0.892715D+00 -0.723133D+01 -0.221399D+01
      3   0.371138D+01  0.527194D+01  0.669874D+01  0.178555D+01  0.158889D+01
                61            62            63            64            65 
      1  -0.463432D+00  0.493132D+01  0.111300D+02  0.690478D+01 -0.153539D+01
      2  -0.795558D+01 -0.125135D+00  0.729050D+01 -0.213628D+01  0.476221D+01
      3   0.374265D+01  0.298250D+00  0.298026D+01 -0.191760D+01 -0.944078D+01
                66            67            68            69            70 
      1   0.363577D+01 -0.270245D+01 -0.675557D+01  0.789732D+01  0.317914D+01
      2   0.794167D+01  0.269474D+01  0.188975D+01 -0.394011D+01  0.255164D+01
      3  -0.131245D+02 -0.194392D+01  0.160733D+01  0.829029D+00 -0.105111D+02
                71            72            73            74            75 
      1   0.152360D+02 -0.238577D+01 -0.571182D-01 -0.729371D+00 -0.429223D+01
      2  -0.540792D+01  0.709511D+00  0.361403D+01  0.328126D+00  0.128627D+02
      3  -0.132764D+00  0.118794D+00 -0.330416D+01 -0.138900D+02  0.185580D+00
                76            77            78            79            80 
      1  -0.273558D+01  0.254349D+01 -0.145632D+01  0.915795D+00 -0.120289D+01
      2  -0.114647D+01  0.257851D+01  0.340920D+01  0.441463D+01  0.534315D+00
      3  -0.347271D+01 -0.730402D+01  0.319979D+00  0.463348D+00  0.746721D+00
                81            82            83            84            85 
      1  -0.497671D+01 -0.222293D+01 -0.508048D-02 -0.171120D+01 -0.205339D-02
      2  -0.158983D+01 -0.119765D+02 -0.679278D+00 -0.482936D+01 -0.209358D+01
      3  -0.248142D+01  0.595018D+01  0.364115D+01  0.316406D+01  0.116498D+02
                86            87            88            89            90 
      1   0.891741D+00 -0.462251D+01 -0.367871D+01 -0.532767D+00  0.304765D+01
      2   0.584879D+01 -0.823019D+01 -0.124167D+02 -0.722189D+01  0.837463D+01
      3  -0.147988D+02 -0.608818D+01  0.449324D+01 -0.563801D+01  0.978432D+01
                91            92            93            94            95 
      1  -0.874318D+01 -0.402231D+01 -0.376660D+01 -0.590960D+01  0.156088D+02
      2  -0.103344D+02 -0.497399D+00  0.128000D+02  0.259989D+00  0.482932D+01
      3  -0.299508D+01 -0.572343D-01  0.881685D+01  0.461073D+01 -0.389157D+01
                96            97            98            99           100 
      1  -0.554746D+01 -0.385181D+01  0.302270D+01 -0.866921D+01  0.639570D+00
      2  -0.132208D+01  0.647829D+01 -0.187405D+01  0.331794D+01  0.704854D+01
      3  -0.336736D-01  0.712336D+01 -0.163676D+01  0.517608D+01  0.107206D+01
               101           102           103           104           105 
      1  -0.467449D+01 -0.238187D+01 -0.588758D+00  0.403154D+01  0.399505D-01
      2  -0.151038D+01 -0.262357D+01 -0.265813D+01  0.136850D+01  0.171234D+01
      3  -0.138837D+01 -0.885136D+00  0.724259D+00  0.318982D+00  0.286419D+00
               106           107           108           109           110 
      1  -0.176488D+01  0.508747D+01  0.350904D+01 -0.247830D+00  0.387185D+01
      2  -0.565825D+01  0.136467D+01  0.369854D+01 -0.108869D+02  0.152760D+01
      3  -0.315123D+00  0.139204D+01  0.744468D+00 -0.304151D+01 -0.192164D+01
               111           112           113           114           115 
      1  -0.209779D+00  0.109684D+01 -0.172164D+01 -0.383370D+00  0.107438D+00
      2  -0.416480D+01  0.232823D+01 -0.172457D+01  0.185058D+01 -0.543577D+01
      3  -0.167082D+01  0.145363D+01  0.163214D+00  0.556548D+00 -0.153531D+01
               116           117           118           119           120 
      1   0.182748D+01  0.585490D+00 -0.398142D+00  0.306008D+01  0.294228D+01
      2   0.154564D+01 -0.336591D+01 -0.193955D+01  0.227474D+01  0.449598D-01
      3  -0.585748D+00 -0.136891D+01 -0.486501D+01  0.613340D+01 -0.175154D+01
               121           122           123           124           125 
      1   0.186296D+01 -0.564707D+01 -0.437262D+01  0.936508D+00  0.114778D+00
      2   0.212535D+01 -0.342923D+01  0.409635D+00 -0.145854D+01  0.957960D+00
      3   0.768630D+01 -0.100923D+02  0.150232D+01 -0.963106D+00  0.720847D+00
               126           127           128           129           130 
      1  -0.623402D+00  0.285769D+01 -0.799263D+00 -0.467057D+01  0.800305D-01
      2  -0.228330D+00  0.648461D+01  0.139189D+01  0.184186D+01  0.726364D+00
      3  -0.181798D+01  0.149814D+02  0.134444D+01 -0.375203D+01  0.258981D+01
               131           132           133           134           135 
      1   0.370069D+00 -0.834729D+00 -0.267328D+01  0.134545D+01  0.183762D+01
      2   0.687437D+00  0.212459D+00 -0.213787D+01 -0.456706D+00 -0.235938D+00
      3   0.900293D+00 -0.996350D+00 -0.410004D+01 -0.702151D+00  0.301189D+01
               136           137           138           139           140 
      1  -0.144730D+01  0.384783D+00  0.246064D+01  0.580935D+00 -0.176841D+01
      2  -0.123210D+01  0.723783D+00  0.131038D+01  0.832830D+00 -0.459896D+00
      3   0.190149D+00 -0.191708D+01  0.844315D+00  0.117369D+00 -0.153857D+01
               141           142           143           144           145 
      1   0.360959D+01  0.251095D+01  0.169942D+01 -0.170012D+02  0.327533D+01
      2   0.220985D+01 -0.316056D+01 -0.994718D+00 -0.991378D+01  0.331754D+01
      3   0.981951D+00  0.245866D+01  0.190797D+01 -0.255289D+01 -0.131275D+01
               146           147           148           149           150 
      1  -0.636038D+01  0.285755D+00 -0.405289D+01  0.109841D+02 -0.242211D+01
      2  -0.343575D+01  0.222203D+01 -0.385856D+01  0.533517D+01 -0.106287D+01
      3  -0.218867D+01 -0.823521D+00  0.377861D+01  0.443108D+01 -0.458401D+00
               151           152           153           154           155 
      1   0.111366D+01 -0.298613D+01  0.576960D+00 -0.205056D+01  0.129392D+01
      2   0.830249D+00 -0.166356D+01  0.612546D+00 -0.204469D+01 -0.602663D+00
      3  -0.121389D+01 -0.117324D+01  0.217367D+00  0.513818D+01 -0.579684D+00
               156           157           158           159           160 
      1  -0.353757D+01 -0.302385D+00 -0.122240D+00 -0.371664D+01 -0.194645D+01
      2   0.175255D+01 -0.146460D+01 -0.307244D+00  0.132222D+01 -0.213820D+01
      3   0.280441D+01  0.287886D+01  0.635190D+00  0.489557D+00  0.376468D+01
               161           162           163           164           165 
      1   0.369102D+00 -0.407091D+01 -0.428267D+01  0.152358D+01 -0.572594D+01
      2   0.984823D+00  0.215205D+01 -0.538978D+01 -0.104140D+01  0.270588D+00
      3  -0.719260D+00  0.142047D+01  0.108881D+02 -0.257757D+00  0.643870D+01
               166           167           168           169           170 
      1   0.142457D+00 -0.215129D+00 -0.141499D+01 -0.427343D+01 -0.758315D-01
      2  -0.526723D+00 -0.958005D+00  0.541063D-01 -0.355660D+01 -0.692296D-01
      3   0.142316D+01  0.150063D+01  0.610390D+00  0.655812D+01  0.204723D+00
               171           172           173           174           175 
      1  -0.514648D+01  0.120113D+01  0.194126D+01 -0.135207D+01  0.186830D+01
      2   0.289538D-01 -0.515147D+00 -0.162294D+01  0.113475D+01 -0.653215D+00
      3   0.461097D+01  0.917300D+00  0.854213D+00  0.109640D+00  0.373490D+01
               176           177           178           179           180 
      1   0.109584D+02 -0.960218D+01 -0.115503D+01 -0.858385D+01  0.110375D+02
      2  -0.270234D+01  0.215008D+01 -0.385986D+00  0.260368D+01 -0.327539D+01
      3  -0.206108D+01  0.765578D+00 -0.233050D+01  0.157821D+01 -0.980952D+00
               181           182           183           184           185 
      1  -0.259648D+01 -0.156718D+01  0.386519D+01  0.266454D+00  0.490031D+00
      2   0.707134D+01 -0.289607D+01 -0.271993D+01 -0.222230D+01  0.208234D+01
      3  -0.964486D+01  0.320752D+01  0.565315D+01  0.436951D+01 -0.314958D+01
               186           187           188           189           190 
      1  -0.286417D+01  0.178223D+01 -0.281315D+00 -0.404877D+01 -0.127210D+01
      2   0.137562D+01 -0.522105D+01  0.239413D+01  0.284813D+01 -0.306889D+01
      3  -0.240749D+01  0.605115D+01 -0.218001D+01 -0.426880D+01 -0.311800D+01
               191           192           193           194           195 
      1  -0.412321D+00  0.550566D+00  0.308918D+00 -0.248230D+01  0.131553D+01
      2   0.118217D+00  0.308453D+01  0.107074D+01 -0.473291D+01  0.662726D+01
      3  -0.119949D+01  0.124273D+01  0.875027D+00 -0.503207D+01  0.486474D+01
               196           197           198           199           200 
      1   0.708788D+00  0.442738D+01 -0.365812D+01  0.313635D+00 -0.489604D+00
      2   0.454312D+00  0.590710D+01 -0.156795D+02  0.422549D+00  0.322827D+00
      3   0.425903D+00  0.650240D+01 -0.624659D+01  0.233231D+01 -0.345560D+01
               201           202           203           204           205 
      1   0.536523D+00 -0.326177D-01  0.143070D+01 -0.338354D+01  0.346309D+00
      2   0.171465D+01  0.691773D+00 -0.326751D+01 -0.409831D+01  0.874915D+00
      3  -0.690039D+00 -0.222650D+01  0.200201D+02  0.310425D+01 -0.771978D+00
               206           207           208           209           210 
      1   0.692460D+00 -0.692227D+00  0.175964D+01  0.883570D+00  0.836871D+00
      2  -0.178839D+01 -0.204563D+01  0.781475D+01  0.133052D+01  0.832950D+01
      3   0.317910D+01  0.160092D+01 -0.652164D+01 -0.580065D+01 -0.256287D+01
               211           212           213           214           215 
      1   0.615268D+00  0.696496D+00 -0.280883D+00  0.189311D+01  0.164353D+01
      2   0.197305D+01  0.102824D+01  0.347103D+01  0.543063D+01  0.179820D+01
      3  -0.363564D+01 -0.187059D+01 -0.127279D+01 -0.377582D+01 -0.367325D+01
               216           217           218           219           220 
      1   0.821909D+00  0.461891D+01 -0.403192D+01 -0.217817D+01 -0.239149D+01
      2   0.742663D+01  0.152972D+02 -0.103137D+01 -0.475938D+01 -0.126878D+01
      3  -0.323587D+01  0.815545D+01 -0.199894D+01 -0.331282D+01  0.254984D+00
               221           222           223           224           225 
      1   0.126113D+01 -0.236863D+00 -0.186892D+01  0.168548D+01  0.289109D+01
      2   0.283210D+01 -0.668907D+00 -0.741589D+01 -0.655542D+00  0.443228D+01
      3   0.166673D+01 -0.824893D+00 -0.330366D+01  0.161801D+00  0.224012D+01
               226           227           228           229           230 
      1   0.478115D+01  0.401386D+01  0.510220D+01  0.276388D+01  0.172939D+01
      2  -0.494250D+01 -0.835668D+00 -0.567146D+00 -0.206251D+01 -0.846024D+00
      3  -0.390845D+01 -0.315833D+01 -0.374378D+01 -0.131398D+01 -0.147311D+01
               231           232           233           234           235 
      1   0.281320D+01  0.416566D+01  0.407725D+01  0.779836D+01 -0.135572D+01
      2   0.635901D+00 -0.555586D+01 -0.362707D-02  0.485656D-01 -0.197488D+00
      3  -0.164164D+01 -0.354872D+01 -0.188921D+01 -0.409106D+01  0.450268D-01
               236           237           238           239           240 
      1   0.280809D+01  0.109227D+01  0.312079D+01 -0.176716D+02 -0.358019D+01
      2   0.173187D+01  0.454081D+00  0.289849D+01 -0.192329D+01 -0.165747D+01
      3  -0.830279D+00 -0.408233D+00  0.331364D+01  0.672929D+01 -0.818722D+00
               241           242           243 
      1   0.676563D+00 -0.175924D+01 -0.197936D+01
      2  -0.599081D+00 -0.622158D+00 -0.953610D+00
      3  -0.193375D-01  0.102666D+01  0.169764D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.108871D+02  0.366221D+01  0.138313D+02  0.514493D+01  0.771004D+01
      2  -0.209910D+00 -0.263857D+01 -0.891018D+01 -0.421032D+01 -0.180757D+01
      3   0.110970D+02 -0.102364D+01 -0.492115D+01 -0.934606D+00 -0.590247D+01
      4   0.462966D+00  0.397430D+01 -0.489114D+01  0.543034D+01 -0.115523D+02
      5   0.123209D+02 -0.109116D+01  0.723883D+01  0.627414D+00  0.302642D+00
      6  -0.738924D+01  0.229668D+01 -0.119667D+01  0.282540D+01 -0.463484D+01
                 6             7             8             9            10 
      1  -0.465807D+01  0.175643D+02 -0.320133D+01  0.973473D+01  0.590803D+00
      2  -0.346788D+01 -0.973667D+01 -0.153620D+01 -0.438795D+01 -0.256073D+00
      3   0.812595D+01 -0.782763D+01  0.473754D+01 -0.534678D+01 -0.334730D+00
      4  -0.617777D+00 -0.427970D+01 -0.698536D-01  0.198709D+01  0.573005D+01
      5   0.607683D+01  0.855700D+01  0.509341D+01 -0.162952D+01 -0.127945D+01
      6  -0.402587D+01 -0.144268D+01 -0.451423D+01  0.364359D+01  0.685251D+01
                11            12            13            14            15 
      1   0.519539D+01  0.101085D+01  0.644770D+01  0.647829D+00 -0.114046D+02
      2  -0.209305D+01  0.328866D+01  0.114565D+00  0.563040D+01 -0.393340D+01
      3  -0.310234D+01 -0.429952D+01 -0.656227D+01 -0.627823D+01  0.153380D+02
      4   0.282127D+01  0.306545D+01  0.279953D+00  0.854603D+00 -0.151967D+01
      5  -0.183344D+01  0.353863D+01 -0.187594D+01 -0.211622D+01 -0.400009D+01
      6  -0.158093D+01  0.620218D+00 -0.772514D+00  0.234574D+01 -0.457865D+01
                16            17            18            19            20 
      1  -0.130529D+02 -0.664211D+01 -0.149538D+01  0.610794D+01 -0.257341D+01
      2   0.482279D+01 -0.360189D+01  0.561330D+00  0.110385D+02 -0.109638D+02
      3   0.823012D+01  0.102440D+02  0.934049D+00 -0.171465D+02  0.135372D+02
      4   0.593513D+01 -0.404048D+01  0.236491D+01  0.403722D+01 -0.263633D+01
      5   0.187211D+01 -0.306652D+00  0.292514D+00 -0.939945D+01  0.309958D+01
      6  -0.447718D-02 -0.484256D+00  0.103682D+02  0.409512D+01 -0.921085D+00
                21            22            23            24            25 
      1  -0.798403D+01 -0.972301D+01 -0.613673D+01  0.128909D+02 -0.149434D+01
      2  -0.408252D+01 -0.733168D+01 -0.610182D+01  0.108640D+01 -0.559791D+01
      3   0.120666D+02  0.170547D+02  0.122385D+02 -0.139773D+02  0.709225D+01
      4   0.305327D+01 -0.253088D+01 -0.313359D+01 -0.181337D+01  0.110821D+01
      5  -0.196630D+02  0.492668D+01  0.254840D+01  0.111366D+02 -0.130280D+02
      6   0.988627D+01 -0.242510D+01 -0.465267D+01  0.679182D+01  0.737999D+01
                26            27            28            29            30 
      1   0.680803D+01  0.210147D+01 -0.456026D+01 -0.155036D+02  0.577267D+01
      2   0.258734D+00  0.104067D+02 -0.595691D+01  0.246981D+02  0.720079D+00
      3  -0.706676D+01 -0.125082D+02  0.105172D+02 -0.919450D+01 -0.649275D+01
      4  -0.202444D+01  0.334283D+01 -0.171765D+02 -0.111590D+02  0.116495D+02
      5   0.763283D+01  0.293660D+01  0.110840D+02  0.755304D+01 -0.302002D+01
      6   0.528428D+01 -0.515731D+01  0.142937D+02 -0.145132D+01 -0.472225D+01
                31            32            33            34            35 
      1  -0.990522D+01  0.153338D+02 -0.729744D-01  0.466516D+01  0.149622D+01
      2   0.169702D+02 -0.216977D+02  0.890437D+01  0.936930D+00  0.734942D+01
      3  -0.706498D+01  0.636390D+01 -0.883140D+01 -0.560210D+01 -0.884564D+01
      4  -0.301454D+01  0.118821D+02  0.159214D+01  0.961041D+01  0.339087D+01
      5   0.271891D+01 -0.361069D+01  0.135937D+00 -0.413762D+01  0.529135D+00
      6  -0.183093D+01  0.852321D+01  0.163629D+01 -0.287121D+01  0.338072D+01
                36            37            38            39            40 
      1  -0.805579D+01  0.508016D+00  0.398957D+01 -0.231371D+00  0.272750D+01
      2   0.647025D+01  0.194243D+01 -0.872985D+01 -0.316066D+01 -0.548673D+01
      3   0.158554D+01 -0.245045D+01  0.474028D+01  0.339203D+01  0.275923D+01
      4   0.297593D+01  0.131296D+01 -0.713504D+01 -0.111958D+02 -0.618425D+01
      5  -0.186352D+01 -0.446541D+01 -0.829255D+01 -0.926033D+01 -0.434447D+01
      6  -0.106230D+02 -0.122878D+02 -0.105994D+02 -0.361044D+01 -0.775146D+01
                41            42            43            44            45 
      1  -0.850794D+01 -0.439128D+00 -0.262023D+01 -0.118697D+01  0.281737D+01
      2   0.120366D+02 -0.566702D+00  0.211617D+00 -0.540571D+00 -0.793836D+01
      3  -0.352864D+01  0.100583D+01  0.240861D+01  0.172754D+01  0.512099D+01
      4  -0.265987D+01 -0.490695D+01 -0.868641D+01 -0.478911D+01 -0.111104D+02
      5  -0.519296D+01 -0.688407D+01 -0.762995D+01 -0.900980D+01 -0.499739D+01
      6   0.123568D+01 -0.801388D+01 -0.628450D+01 -0.115311D+02  0.297060D+01
                46            47            48            49            50 
      1  -0.527699D+02 -0.685169D+01  0.317677D+01 -0.177579D+02  0.118377D+01
      2   0.248645D+02 -0.148288D+01 -0.332620D+01  0.852403D+01 -0.342576D+01
      3   0.279054D+02  0.833457D+01  0.149437D+00  0.923389D+01  0.224198D+01
      4  -0.137845D+02 -0.742119D+01  0.261626D+01  0.183778D+00 -0.380281D+01
      5   0.519219D+01  0.489167D+01 -0.699586D+01  0.268877D+01  0.829876D+00
      6   0.685146D+00  0.359539D+00 -0.590312D+01  0.313548D+01 -0.534409D+01
                51            52            53            54            55 
      1   0.117567D+02  0.119582D+01  0.101712D+02 -0.499951D+00  0.248023D+01
      2  -0.847394D+00  0.150690D+01 -0.592789D+01 -0.201160D+01 -0.707069D+01
      3  -0.109093D+02 -0.270271D+01 -0.424333D+01  0.251155D+01  0.459047D+01
      4   0.227116D+01 -0.935090D+00  0.372373D+01 -0.268628D+01  0.160722D+01
      5  -0.429667D+01  0.430565D+01 -0.875944D+00 -0.434621D+00 -0.254256D+01
      6  -0.309241D+01 -0.439495D+00  0.189031D+00 -0.622825D+01  0.380743D+01
                56            57            58            59            60 
      1  -0.726349D+01 -0.692038D+01  0.145748D+01 -0.253563D+01 -0.868295D+01
      2   0.163303D+02  0.209043D+01  0.915816D+01 -0.113738D+02  0.356183D-01
      3  -0.906677D+01  0.482994D+01 -0.106156D+02  0.139095D+02  0.864733D+01
      4  -0.129590D+02  0.473737D+00 -0.852735D+01  0.172035D+02 -0.155808D+01
      5  -0.169476D+01  0.153188D+00 -0.424107D+00  0.303542D+01 -0.573559D+00
      6   0.983447D+01  0.321469D+01  0.395444D+01  0.102076D+01  0.926332D+01
                61            62            63            64            65 
      1   0.180823D+01 -0.343183D+01  0.964820D+01  0.560124D+01 -0.581784D+01
      2  -0.514072D+01  0.840646D+01  0.154542D+02  0.418851D+01  0.283412D+01
      3   0.333249D+01 -0.497464D+01 -0.251024D+02 -0.978975D+01  0.298371D+01
      4   0.355869D+01 -0.401932D+01  0.563450D+01 -0.530996D+01 -0.879513D+01
      5   0.837862D+00  0.578515D+00  0.129474D+02 -0.891971D+01 -0.795133D+01
      6   0.123286D+01  0.613244D+01 -0.815521D+01 -0.206444D+02  0.795067D+01
                66            67            68            69            70 
      1  -0.970511D+01 -0.525646D+01 -0.275430D+01 -0.276856D+01 -0.800821D+01
      2   0.115085D+02  0.158286D+01 -0.268114D+01  0.179402D+02  0.106429D+02
      3  -0.180336D+01  0.367361D+01  0.543544D+01 -0.151716D+02 -0.263471D+01
      4  -0.185427D+02 -0.592278D+01  0.235855D+01  0.902981D+01 -0.161006D+02
      5  -0.175705D+02 -0.386609D+01  0.739501D+01  0.571723D+00 -0.145534D+02
      6  -0.159015D+00  0.762303D+01  0.151368D+02 -0.558445D+01 -0.287290D+00
                71            72            73            74            75 
      1  -0.609678D+01  0.306708D+01  0.105251D+03  0.134477D+02 -0.394507D+01
      2   0.213642D+02 -0.750836D+01 -0.510515D+02 -0.359134D+01  0.301571D+01
      3  -0.152674D+02  0.444128D+01 -0.541997D+02 -0.985637D+01  0.929357D+00
      4   0.983360D+01 -0.441295D+01  0.185417D+02  0.205513D+02 -0.196799D+01
      5  -0.762010D+00 -0.140650D+01 -0.870624D+01 -0.284130D+01  0.183546D+02
      6  -0.964953D+01 -0.599862D+01 -0.494318D+01 -0.245581D+01  0.371526D+01
                76            77            78            79            80 
      1   0.161732D+02  0.136956D+02 -0.283673D+01  0.148662D+01 -0.218185D+01
      2  -0.665493D+01 -0.164024D+01  0.153569D+01  0.190714D+01  0.107543D+01
      3  -0.951824D+01 -0.120554D+02  0.130103D+01 -0.339376D+01  0.110642D+01
      4   0.246690D+02  0.127898D+02 -0.307950D+01 -0.293339D+01 -0.195595D+01
      5  -0.445995D+01 -0.374461D+01  0.504741D+01  0.210404D+02  0.467130D+01
      6  -0.361534D+01 -0.188397D+01  0.533678D+01  0.255903D+01  0.422345D+01
                81            82            83            84            85 
      1   0.108811D+02 -0.194751D+01 -0.121053D+02 -0.249970D+02 -0.177260D+02
      2  -0.993128D+01  0.336876D+01  0.876286D+01  0.130549D+02  0.151301D+02
      3  -0.949855D+00 -0.142125D+01  0.334248D+01  0.119421D+02  0.259583D+01
      4   0.401352D+01 -0.110650D+02 -0.559645D+01  0.127672D+01 -0.989220D+01
      5  -0.459944D+01 -0.252078D+02 -0.868689D+00 -0.103261D+02 -0.392370D+01
      6  -0.797621D+00  0.442312D+01  0.900277D+00  0.898081D+00  0.162636D+01
                86            87            88            89            90 
      1  -0.499167D+00 -0.770545D+00 -0.306573D+02 -0.601881D+00 -0.134072D+02
      2  -0.100681D+02 -0.256559D+01  0.156496D+02 -0.290213D+01  0.107671D+02
      3   0.105673D+02  0.333614D+01  0.150078D+02  0.350401D+01  0.264004D+01
      4   0.265421D+02  0.717126D+01 -0.891913D+00  0.670925D+01 -0.995824D+01
      5   0.721479D+01 -0.127628D+02 -0.150003D+02 -0.115636D+02  0.898371D+01
      6  -0.560268D+01  0.143375D+01  0.603362D+00  0.165632D+01 -0.871018D+00
                91            92            93            94            95 
      1   0.109602D+02 -0.246910D+01 -0.810062D+01 -0.395584D+01  0.324668D+01
      2   0.109849D+02  0.859825D+01  0.133030D+02  0.114979D+02 -0.240572D+02
      3  -0.219451D+02 -0.612915D+01 -0.520236D+01 -0.754201D+01  0.208105D+02
      4  -0.572814D+01 -0.183741D+01  0.664043D+01 -0.231865D+01  0.144172D+02
      5  -0.342661D+01 -0.231367D+01 -0.226873D+02 -0.541781D+01 -0.272302D+01
      6   0.486756D+01 -0.261764D+01 -0.323920D+01 -0.395472D+01  0.109768D+02
                96            97            98            99           100 
      1   0.588697D+01 -0.795149D+01  0.730722D+01 -0.105131D+02 -0.697191D+00
      2   0.780317D+01  0.132749D+02  0.547794D+00  0.136892D+02 -0.918789D+01
      3  -0.136901D+02 -0.532346D+01 -0.785501D+01 -0.317608D+01  0.988508D+01
      4   0.185599D+01  0.591324D+01  0.422518D+01 -0.268828D+01 -0.120250D+01
      5  -0.104426D+02 -0.209120D+02 -0.709762D+01 -0.902347D+01 -0.989506D+01
      6   0.921286D+01 -0.140348D+01  0.102302D+02 -0.108635D+02 -0.123060D+00
               101           102           103           104           105 
      1  -0.339432D+00  0.790658D+01  0.248433D+01 -0.293833D+01 -0.773680D+01
      2   0.393312D+01  0.114479D+02  0.334481D+01 -0.147330D+01 -0.671038D+01
      3  -0.359369D+01 -0.193545D+02 -0.582914D+01  0.441163D+01  0.144472D+02
      4   0.216999D+01 -0.243999D+00  0.178270D+01 -0.105499D+01 -0.122913D+01
      5   0.207588D+01  0.147125D+02  0.279687D+01 -0.369218D+01 -0.466225D+01
      6  -0.445592D+01 -0.891369D+00 -0.253947D+01  0.509297D+01  0.614985D+01
               106           107           108           109           110 
      1   0.450139D+01 -0.244999D+01 -0.166707D+02  0.355380D+01  0.191190D+01
      2   0.751144D+01 -0.348078D+01 -0.217694D+02 -0.120478D+02  0.111828D+01
      3  -0.120128D+02  0.593077D+01  0.384401D+02  0.849400D+01 -0.303018D+01
      4  -0.249703D+00 -0.128308D+01 -0.110589D+01 -0.901652D+01  0.559123D+01
      5   0.115277D+02 -0.324185D+01 -0.138181D+02  0.220881D+02 -0.498845D+01
      6  -0.103394D+01  0.553825D+01  0.138301D+01 -0.736027D+01  0.736223D+01
               111           112           113           114           115 
      1  -0.289474D+01  0.134270D+01 -0.164544D+01  0.215785D+01 -0.181253D+01
      2  -0.105666D+02  0.111594D+01  0.147066D+01  0.225900D+00 -0.621610D+01
      3   0.134614D+02 -0.245864D+01  0.174774D+00 -0.238375D+01  0.802864D+01
      4  -0.683325D+01  0.581243D+01 -0.263904D+01  0.351197D+01 -0.405892D+01
      5   0.202159D+02 -0.435407D+01  0.411916D+01 -0.464134D+01  0.131900D+02
      6  -0.910117D+01  0.536200D+01 -0.548732D+01  0.729660D+01 -0.583904D+01
               116           117           118           119           120 
      1   0.162250D+01 -0.688048D+01 -0.261402D+01  0.119173D+02 -0.378297D+01
      2   0.270612D+00 -0.116920D+02  0.841163D+01 -0.215416D+02  0.269026D+01
      3  -0.189311D+01  0.185725D+02 -0.579761D+01  0.962426D+01  0.109271D+01
      4   0.207842D+01 -0.495151D+01 -0.559073D+01  0.114050D+02 -0.302285D+01
      5  -0.403409D+01  0.134040D+02  0.124697D+01 -0.368860D+01  0.228172D+01
      6   0.509814D+01 -0.774824D+01 -0.520845D+01  0.867510D+01 -0.513597D+01
               121           122           123           124           125 
      1   0.669870D+01 -0.304503D+02  0.621772D+01 -0.133622D+01  0.363391D+01
      2  -0.110504D+02  0.550700D+02 -0.812483D+01  0.121150D+00 -0.316545D+01
      3   0.435173D+01 -0.246197D+02  0.190711D+01  0.121507D+01 -0.468456D+00
      4   0.891562D+01 -0.751431D+01  0.644009D+00 -0.155233D+01  0.344920D+00
      5  -0.293239D+01  0.240716D+01 -0.626063D+00  0.209031D+01 -0.657993D+00
      6   0.351216D+01 -0.202837D+02  0.108685D+02 -0.240958D+01  0.100002D+02
               126           127           128           129           130 
      1  -0.484612D+01  0.180025D+02  0.245192D+01 -0.162237D+01  0.877325D+00
      2   0.462146D+01 -0.302536D+01  0.532283D+01  0.593560D+00  0.334590D+01
      3   0.224654D+00 -0.149772D+02 -0.777476D+01  0.102881D+01 -0.422322D+01
      4  -0.217184D+01  0.298157D+02  0.189897D+02 -0.108287D+02  0.115258D+02
      5   0.969565D+00 -0.181680D+02 -0.862708D+01  0.103229D+02 -0.390823D+01
      6  -0.327498D+01 -0.134110D+02 -0.960817D+01  0.105717D+02 -0.524449D+01
               131           132           133           134           135 
      1  -0.134074D+01  0.756803D+00 -0.205447D+01  0.969053D+00  0.798556D+00
      2   0.835696D+01 -0.305429D+01  0.179396D+01 -0.259247D+01 -0.307343D+01
      3  -0.701621D+01  0.229748D+01  0.260506D+00  0.162341D+01  0.227487D+01
      4   0.930679D+01 -0.442276D+01 -0.846094D+01 -0.559948D+01  0.681027D+01
      5  -0.422482D+01  0.271790D+01  0.101864D+02  0.450262D+01 -0.686225D+01
      6  -0.733257D+01  0.448089D+01  0.801805D+01  0.668715D+01 -0.677576D+01
               136           137           138           139           140 
      1  -0.754626D+00  0.114717D+01 -0.848236D-01  0.204331D+01 -0.307126D+01
      2  -0.393761D+01 -0.111443D+01  0.434572D+01 -0.279877D+01  0.889355D+00
      3   0.469223D+01 -0.327357D-01 -0.426090D+01  0.755451D+00  0.218190D+01
      4  -0.129940D+01  0.409572D+01  0.359697D+01  0.120591D+01 -0.216605D+01
      5  -0.482745D+01  0.132422D+01  0.102698D+02 -0.230278D+01 -0.164216D+01
      6   0.197379D+01 -0.217057D+01 -0.271490D+01 -0.776172D+00  0.130716D+01
               141           142           143           144           145 
      1   0.158641D+00 -0.105172D+01 -0.511077D+01 -0.231288D+02  0.589648D+01
      2   0.568882D+01  0.529737D+01  0.808245D+00 -0.219915D+02  0.535106D+01
      3  -0.584746D+01 -0.424565D+01  0.430252D+01  0.451202D+02 -0.112475D+02
      4  -0.111991D+01  0.382220D+01 -0.298682D+01 -0.679863D+01 -0.165945D+02
      5   0.323667D+01  0.953537D+01 -0.317456D+01 -0.206152D+02 -0.415657D+01
      6   0.445981D+01 -0.412436D+01  0.878423D+01  0.206066D+02  0.387586D+01
               146           147           148           149           150 
      1   0.219852D+00  0.150374D+01 -0.125473D+00 -0.124797D+02 -0.184907D+01
      2  -0.111953D+02 -0.137543D+01 -0.105224D+02  0.341353D+02  0.146509D+01
      3   0.109755D+02 -0.128307D+00  0.106478D+02 -0.216556D+02  0.383984D+00
      4   0.210950D+02  0.334469D+01  0.176610D+02 -0.282126D+02 -0.283293D+01
      5   0.571201D+01  0.403555D+01  0.435198D+01 -0.440900D+01 -0.322956D+01
      6  -0.691520D+01 -0.411309D+01 -0.575393D+01  0.119680D+02  0.663373D+01
               151           152           153           154           155 
      1   0.241170D+01 -0.202613D+00 -0.348204D+01  0.577500D+01 -0.592413D+00
      2   0.828731D+00 -0.550430D+01  0.146098D+01 -0.699645D+00  0.541511D+01
      3  -0.324043D+01  0.570691D+01  0.202106D+01 -0.507535D+01 -0.482270D+01
      4  -0.366687D+01  0.444012D+01 -0.387678D+01  0.158695D+02  0.150341D+02
      5   0.129558D+01 -0.247517D+01 -0.117837D+01  0.137309D+02  0.851128D+01
      6  -0.219398D+01  0.448973D+01  0.191166D+01  0.109162D+02  0.960966D+01
               156           157           158           159           160 
      1   0.101717D+01 -0.159769D+01 -0.526159D+01 -0.362855D+01  0.577639D+00
      2  -0.115086D+01  0.541142D+01  0.109931D+02  0.449648D+01 -0.147494D+01
      3   0.133691D+00 -0.381373D+01 -0.573150D+01 -0.867937D+00  0.897302D+00
      4   0.107385D+02  0.117861D+02  0.124567D+02  0.759713D+01  0.961398D+01
      5   0.121283D+02  0.559599D+01  0.734697D+01  0.554016D+01  0.117574D+02
      6   0.976245D+01  0.759144D+01  0.115298D+02  0.119656D+02  0.941811D+01
               161           162           163           164           165 
      1  -0.430970D+01 -0.550957D+01  0.899187D+01 -0.193213D+01  0.131765D+01
      2   0.353996D+01 -0.349710D+00 -0.917513D+01  0.497674D+01 -0.786102D+01
      3   0.769742D+00  0.585928D+01  0.183267D+00 -0.304461D+01  0.654336D+01
      4   0.882768D+01  0.104780D+02  0.203858D+02  0.123228D+02  0.140151D+02
      5   0.791713D+01  0.130465D+02  0.209731D+02  0.758459D+01  0.180685D+02
      6   0.143027D+02  0.159705D+02  0.141311D+02  0.898912D+01  0.132407D+02
               166           167           168           169           170 
      1  -0.809237D+00 -0.617882D+00 -0.102709D+01  0.204681D+01 -0.239914D+01
      2   0.317460D+01  0.242910D+01  0.139652D+01 -0.729196D+01  0.407880D+00
      3  -0.236536D+01 -0.181122D+01 -0.369428D+00  0.524514D+01  0.199126D+01
      4   0.631978D+01  0.462588D+01  0.288266D+01  0.122412D+02  0.523415D+01
      5   0.189772D+01  0.332207D+01  0.111559D+01  0.155493D+02  0.489650D+01
      6   0.372185D+01  0.265271D+01  0.518287D+01  0.982885D+01  0.101598D+02
               171           172           173           174           175 
      1  -0.389642D+01 -0.618461D+00  0.108010D+00  0.482584D+00 -0.335637D+00
      2  -0.635046D+01  0.315871D+01  0.428905D+01 -0.266976D+01  0.460174D+01
      3   0.102469D+02 -0.254025D+01 -0.439706D+01  0.218718D+01 -0.426610D+01
      4   0.990950D+01  0.445413D+01  0.843944D+01 -0.115380D+01  0.781815D+01
      5   0.148783D+02  0.473644D+00  0.364371D+00  0.369360D+01  0.364662D+00
      6   0.141477D+02  0.466418D+00 -0.143365D+01  0.167375D+01 -0.143408D+01
               176           177           178           179           180 
      1  -0.138869D+02  0.391489D+01  0.369908D+00  0.931441D+01 -0.377346D+01
      2   0.348083D+02 -0.132756D+02 -0.385880D+01 -0.237581D+02  0.982433D+01
      3  -0.209214D+02  0.936068D+01  0.348889D+01  0.144437D+02 -0.605087D+01
      4   0.946729D+01 -0.394202D+01 -0.434946D+01 -0.783972D+01  0.372357D+01
      5  -0.230992D+01  0.174936D+01  0.233902D+01  0.229551D+01 -0.275324D+01
      6  -0.614281D+01  0.953464D+01  0.130377D+01  0.850063D+01 -0.119434D+02
               181           182           183           184           185 
      1  -0.306433D+01  0.956625D+01  0.911688D+01  0.453657D+01 -0.832043D+01
      2   0.452912D+00 -0.103307D+02 -0.211232D+01 -0.505423D+01  0.103933D+02
      3   0.261142D+01  0.764449D+00 -0.700456D+01  0.517660D+00 -0.207287D+01
      4  -0.135752D+02  0.893320D+01  0.984186D+01  0.656224D+01 -0.648737D+01
      5  -0.941273D+01  0.558805D+01  0.880323D+01  0.292373D+01 -0.443355D+01
      6   0.114032D+02 -0.132409D+02 -0.136490D+02 -0.677666D+01  0.935096D+01
               186           187           188           189           190 
      1  -0.597187D+01  0.569888D+01 -0.852995D+01 -0.117914D+02  0.472773D+01
      2   0.354218D+01 -0.140722D+01  0.443987D+01  0.877172D+00 -0.436352D+01
      3   0.242969D+01 -0.429166D+01  0.409008D+01  0.109143D+02 -0.364200D+00
      4  -0.498192D+01  0.903292D+01 -0.544735D+01 -0.600297D+01  0.336411D+01
      5  -0.249046D+01  0.815562D+01 -0.301131D+01 -0.573164D+01 -0.500247D+01
      6   0.104645D+02 -0.788175D+01  0.144554D+02  0.171237D+02 -0.121066D+01
               191           192           193           194           195 
      1   0.478077D+01 -0.424897D+01  0.106048D+02 -0.117699D+01 -0.108900D+01
      2  -0.326796D+01  0.456230D+01 -0.714326D+01  0.169421D+01  0.277693D+01
      3  -0.151281D+01 -0.313330D+00 -0.346156D+01 -0.517215D+00 -0.168793D+01
      4   0.300954D+01 -0.208928D+01  0.339079D+01  0.338639D+01 -0.582678D+01
      5  -0.322549D+01  0.105361D+02 -0.440534D+01 -0.545447D+01  0.941411D+01
      6  -0.444018D+00 -0.147519D+00 -0.107440D-01 -0.187347D+01  0.212996D+01
               196           197           198           199           200 
      1  -0.105690D+02  0.254717D+00  0.420200D+01  0.674196D+01 -0.478996D+01
      2   0.798198D+01  0.233550D+01 -0.122211D+02 -0.640977D+00  0.504213D-01
      3   0.258701D+01 -0.259022D+01  0.801906D+01 -0.610098D+01  0.473954D+01
      4  -0.699973D+00 -0.772808D+01  0.647414D+01 -0.745548D+01  0.112731D+02
      5   0.148399D+02  0.741454D+01 -0.251056D+02  0.225280D+00  0.244998D+01
      6  -0.103605D+01  0.311103D+01  0.772863D+00  0.120963D+01 -0.126662D+01
               201           202           203           204           205 
      1   0.953829D+00 -0.102894D+02 -0.247400D+01  0.469425D+00  0.137918D+01
      2  -0.757888D+00 -0.145962D+01  0.202110D+02  0.163127D+01 -0.108327D+01
      3  -0.195941D+00  0.117490D+02 -0.177370D+02 -0.210069D+01 -0.295910D+00
      4   0.212573D+01  0.205955D+02 -0.377534D+02 -0.587479D+01  0.289529D+01
      5   0.334030D+01  0.404890D+01 -0.533705D+01 -0.585754D+01  0.543882D+01
      6  -0.103810D+01 -0.251263D+01  0.713156D+01  0.641416D+01 -0.217755D+01
               206           207           208           209           210 
      1  -0.154391D+00  0.787257D+00  0.499084D+02  0.608036D+01  0.160443D+02
      2   0.173648D+01  0.290469D+00 -0.270747D+02 -0.365474D+01 -0.950049D+01
      3  -0.158209D+01 -0.107773D+01 -0.228337D+02 -0.242562D+01 -0.654379D+01
      4  -0.521244D+01 -0.382757D+01  0.269859D+01  0.801801D+01  0.102880D+01
      5  -0.400512D+01 -0.352358D+01  0.187455D+02  0.214466D+01  0.140781D+02
      6   0.580589D+01  0.228377D+01 -0.180055D+01  0.552725D+00 -0.144187D+01
               211           212           213           214           215 
      1   0.146558D+02  0.559442D+01  0.366893D+01  0.291158D+02  0.234049D+01
      2  -0.841144D+01 -0.133908D+01 -0.202136D+01 -0.169556D+02 -0.140255D+01
      3  -0.624436D+01 -0.425533D+01 -0.164757D+01 -0.121601D+02 -0.937938D+00
      4   0.970560D+01  0.210465D+01  0.298918D+01  0.871975D+00  0.545618D+01
      5   0.545985D+01  0.293876D+01  0.584157D+01  0.194994D+02  0.331937D+01
      6   0.987493D+00  0.144401D+01  0.161103D+01 -0.120821D+01  0.175038D+01
               216           217           218           219           220 
      1   0.120049D+02 -0.498817D+01 -0.408756D+01  0.111247D+02 -0.102381D+01
      2  -0.104410D+02 -0.441383D+01  0.107976D+01  0.382953D+01 -0.675633D+00
      3  -0.156396D+01  0.940200D+01  0.300780D+01 -0.149543D+02  0.169944D+01
      4   0.245599D+01  0.924025D+01  0.236667D+01 -0.503875D+01  0.249226D+01
      5   0.150785D+02 -0.159678D+02  0.700682D-01  0.100338D+02  0.842174D+00
      6  -0.113932D+01 -0.318715D+01 -0.737946D+01  0.870473D+01 -0.397862D+01
               221           222           223           224           225 
      1  -0.209195D+01  0.411257D+00  0.681664D+01  0.125465D+01 -0.846312D+01
      2   0.357857D+01 -0.220849D+01  0.212954D+01 -0.750528D+00 -0.742676D+01
      3  -0.148661D+01  0.179723D+01 -0.894618D+01 -0.504120D+00  0.158899D+02
      4  -0.378400D+00 -0.909872D+00 -0.465479D+01 -0.135583D+01  0.357259D+01
      5  -0.278766D+01  0.246269D+01  0.106401D+02  0.147085D+01 -0.587191D+01
      6  -0.828807D+00  0.212107D+01  0.402244D+01  0.327472D+01 -0.528513D+01
               226           227           228           229           230 
      1   0.807591D+01  0.182829D+01  0.110910D+01  0.292465D+01 -0.424055D+00
      2  -0.166023D+02 -0.322364D+01 -0.173877D+02 -0.644631D+01 -0.340667D+00
      3   0.852643D+01  0.139535D+01  0.162786D+02  0.352166D+01  0.764721D+00
      4  -0.387517D+01  0.406771D+01 -0.440009D+01  0.232534D+01  0.305906D+00
      5   0.226008D+02  0.795128D+00  0.248536D+02  0.735291D+01  0.456399D+01
      6  -0.209787D+01  0.551529D+01 -0.365465D+01  0.356709D+01  0.163855D+01
               231           232           233           234           235 
      1  -0.154414D+01  0.153911D+01  0.110554D+00 -0.698341D+01 -0.674955D-01
      2  -0.809785D+01 -0.139270D+02 -0.237907D+01 -0.234053D+02  0.184980D+01
      3   0.964198D+01  0.123879D+02  0.226852D+01  0.303887D+02 -0.178230D+01
      4   0.190822D+01 -0.392563D+01  0.209971D+01 -0.279223D+01 -0.481396D+01
      5   0.853116D+01  0.202202D+02  0.145345D+01  0.257525D+02  0.245737D+01
      6   0.373363D+01 -0.218011D+01  0.508687D+01 -0.454119D+01 -0.333719D+01
               236           237           238           239           240 
      1  -0.603699D+00 -0.168656D+00 -0.301875D+00 -0.178622D+02  0.522393D+01
      2  -0.426952D+01 -0.142988D+01 -0.534938D+01  0.384361D+02 -0.172293D+01
      3   0.487322D+01  0.159854D+01  0.565125D+01 -0.205739D+02 -0.350101D+01
      4   0.897636D+01 -0.180972D+01  0.100815D+02 -0.193140D+02  0.294345D+01
      5  -0.329905D+01  0.467244D+01 -0.438166D+01  0.565406D+01 -0.311080D+01
      6   0.449499D+01 -0.156952D+01  0.523167D+01 -0.258388D+02  0.103822D+02
               241           242           243 
      1  -0.409722D+00  0.250354D+00 -0.118482D+01
      2  -0.176778D+01  0.403540D+01  0.153582D+01
      3   0.217750D+01 -0.428575D+01 -0.350993D+00
      4   0.842482D+00 -0.201187D+01 -0.135926D+01
      5   0.253639D+01 -0.526640D+00  0.886259D+00
      6  -0.515947D+00  0.363237D+01 -0.330538D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124878D+01      0.317408D+01      0.105876D+02
   x          0.119406D+01      0.303501D+01      0.101237D+02
   y          0.361083D+00      0.917782D+00      0.306139D+01
   z         -0.572722D-01     -0.145571D+00     -0.485574D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111083D+03      0.164608D+02      0.183152D+02
   aniso      0.677782D+01      0.100437D+01      0.111751D+01
   xx         0.114673D+03      0.169928D+02      0.189071D+02
   yx         0.741876D+00      0.109935D+00      0.122319D+00
   yy         0.111152D+03      0.164711D+02      0.183266D+02
   zx        -0.758278D-01     -0.112365D-01     -0.125023D-01
   zy         0.127064D+01      0.188290D+00      0.209500D+00
   zz         0.107424D+03      0.159186D+02      0.177118D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.115852D+03      0.171675D+02      0.191014D+02
   aniso      0.787671D+01      0.116721D+01      0.129869D+01
   xx         0.120153D+03      0.178049D+02      0.198106D+02
   yx         0.103281D+01      0.153047D+00      0.170288D+00
   yy         0.115595D+03      0.171294D+02      0.190590D+02
   zx        -0.238466D+00     -0.353371D-01     -0.393178D-01
   zy         0.144898D+01      0.214716D+00      0.238904D+00
   zz         0.111809D+03      0.165683D+02      0.184347D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.55440022         -1.17173471          1.46637180
     6          1.24713593         -0.40281855         -0.74703837
     6          2.61574463          1.95369828          0.37119695
     6          0.61118167          3.20421283          2.11301033
     6         -1.72790882          1.51709188          1.71388342
     6         -0.64851552          0.75767177         -2.59136653
     6         -2.67770388          2.04378602         -0.97888926
     6          2.96269757         -2.37144722         -1.89400782
     8         -0.55861599          0.69570881         -4.86420062
     6          0.81723188         -2.06481574          3.84584418
     6         -2.45868432         -3.22133534          0.72414468
     1          4.27649071          1.34110061          1.42471294
     1          3.28137911          3.20941930         -1.12036676
     1          0.22713334          5.15972960          1.59196226
     1          1.21840752          3.21039407          4.07944558
     1         -4.51226610          1.19815270         -1.38517635
     1         -2.81080301          4.04784575         -1.44331081
     1         -3.16957693          1.69960168          3.17277441
     1          4.00883928         -1.57506098         -3.48141387
     1          1.88647425         -3.97428452         -2.61650711
     1          4.32140922         -3.06823164         -0.50746853
     1          2.27154457         -0.76486114          4.49357797
     1          1.71470381         -3.89260491          3.51756908
     1         -0.53462285         -2.30896400          5.38737421
     1         -3.40765854         -2.85339603         -1.06519045
     1         -3.90895316         -3.41456202          2.18009863
     1         -1.51424252         -5.04581279          0.54663261

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124878D+01      0.317408D+01      0.105876D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.124878D+01      0.317408D+01      0.105876D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111083D+03      0.164608D+02      0.183152D+02
   aniso      0.677782D+01      0.100437D+01      0.111751D+01
   xx         0.108442D+03      0.160694D+02      0.178797D+02
   yx        -0.200503D+01     -0.297115D+00     -0.330585D+00
   yy         0.110061D+03      0.163093D+02      0.181466D+02
   zx        -0.484440D+00     -0.717866D-01     -0.798734D-01
   zy        -0.579415D+00     -0.858605D-01     -0.955326D-01
   zz         0.114747D+03      0.170037D+02      0.189192D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.115852D+03      0.171675D+02      0.191014D+02
   aniso      0.787671D+01      0.116721D+01      0.129869D+01
   xx         0.112938D+03      0.167357D+02      0.186210D+02
   yx        -0.218178D+01     -0.323306D+00     -0.359727D+00
   yy         0.114310D+03      0.169391D+02      0.188472D+02
   zx        -0.420572D+00     -0.623223D-01     -0.693429D-01
   zy        -0.617734D+00     -0.915387D-01     -0.101851D+00
   zz         0.120308D+03      0.178278D+02      0.198361D+02

 ----------------------------------------------------------------------
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 A ROPE OVER THE TOP OF A FENCE HAS THE SAME LENGTH ON EACH SIDE.
 WEIGHS 1/3 POUND PER FOOT.  ON ONE END HANGS A MONKEY HOLDING A
 BANANA, AND ON THE OTHER END A WEIGHT EQUAL TO THE WEIGHT
 OF THE MONKEY.  THE BANANA WEIGHS TWO OUNCES PER INCH.
 THE ROPE IS AS LONG AS THE AGE OF THE MONKEY, 
 AND THE WEIGHT OF THE MONKEY (IN OUNCES) IS AS MUCH
 AS THE AGE OF THE MONKEY'S MOTHER.  THE COMBINED AGES OF MONKEY
 AND MOTHER ARE THIRTY YEARS.  HALF THE WEIGHT OF THE MONKEY,
  PLUS THE WEIGHT OF THE BANANA, IS ONE FOURTH AS MUCH AS THE WEIGHT
 OF THE WEIGHT AND THE ROPE.
 THE MONKEY'S MOTHER IS HALF AS OLD AS THE MONKEY WILL BE
 WHEN IT IS 3 TIMES AS OLD AS ITS MOTHER WAS WHEN
 SHE WAS HALF AS OLD AS THE MONKEY WILL BE WHEN IT IS
 AS OLD AS ITS MOTHER WILL BE WHEN SHE IS 4 TIMES AS
 OLD AS THE MONKEY WAS WHEN IT WAS TWICE AS OLD AS 
 ITS MOTHER WAS WHEN SHE WAS ONE THIRD AS OLD AS THE
 MONKEY WAS WHEN IT WAS AS OLD AS ITS MOTHER WAS WHEN 
 SHE WAS 3 TIMES AS OLD AS THE MONKEY WAS WHEN IT WAS AS OLD AS ITS
 MOTHER WAS WHEN SHE WAS 3 TIMES AS OLD AS THE MONKEY 
 WAS WHEN IT WAS ONE FOURTH WAS OLD AS IT IS NOW.

 HOW LONG IS THE BANANA?
 Job cpu time:       0 days 10 hours 16 minutes 39.3 seconds.
 Elapsed time:       0 days  0 hours 51 minutes 31.5 seconds.
 File lengths (MBytes):  RWF=    454 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Sat Jul 10 00:12:25 2021.
